data_2k8s_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 2k8s _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -76.58 163.47 26.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.708 0.289 . . . . 0.0 110.353 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HD3' HD12 ' A' ' 6' ' ' ILE . 24.1 ttmm -106.36 126.03 51.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.105 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.66 100.21 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.857 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 4' ' ' LYS . 15.4 mt -95.35 122.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.151 -176.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -107.08 103.37 12.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.789 0.328 . . . . 0.0 110.668 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.66 130.21 41.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 17.0 p80 -160.17 159.37 31.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 173.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.82 13.64 34.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.55 13.92 77.22 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 29.4 m -67.14 152.14 96.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.85 -46.76 28.66 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.849 2.366 . . . . 0.0 112.403 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -62.32 -35.02 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.736 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 59.2 m -67.91 -41.45 82.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.438 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.3 -39.46 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -60.65 -44.67 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.55 -38.52 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.17 -50.92 64.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 0.0 110.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.08 -36.58 84.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.749 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.24 -68.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.729 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.73 -50.48 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.813 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.8 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 111.763 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.75 -17.35 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.357 . . . . 0.0 110.805 176.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.2 -21.68 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -79.85 129.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.933 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.49 133.92 33.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.331 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 21.7 Cg_exo -66.25 -5.03 11.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.046 2.498 . . . . 0.0 112.499 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -72.8 -47.87 42.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.209 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -89.1 -43.87 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 61.2 m-85 -126.42 122.5 35.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 111.444 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.9 m -80.32 106.15 12.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.589 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -80.88 107.41 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.923 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 36.1 mt-10 -104.19 95.43 5.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.02 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.36 127.71 39.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.88 113.74 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.115 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -83.73 119.37 24.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.52 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -101.57 10.43 40.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.05 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.61 25.02 25.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.282 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.66 -51.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.101 0.477 . . . . 0.0 110.051 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' CG ' ' HG3' ' A' ' 44' ' ' ARG . 12.8 t0 -84.61 108.51 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.88 -4.41 58.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.086 0.47 . . . . 0.0 111.297 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.16 -30.23 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.238 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HG3' ' CG ' ' A' ' 41' ' ' ASP . 57.4 mtt180 -74.1 -11.91 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.058 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 67.7 mt -60.43 -39.53 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.28 70.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.864 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.29 -43.11 61.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.914 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -57.88 -43.02 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.425 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 41.6 mt-10 -51.29 -45.47 62.17 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.419 0.628 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -84.99 -25.68 27.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.207 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -23.48 63.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.7 5.55 27.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.85 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 54.3 t -82.03 102.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.188 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -109.27 -5.85 15.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.263 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.578 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.6 m -151.92 167.43 28.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.755 174.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.01 141.67 42.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.736 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.0 Cg_endo -85.03 148.83 49.46 Favored 'Cis proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.098 -1.626 . . . . 0.0 113.068 1.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.71 126.8 47.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.964 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.68 101.42 12.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.065 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.3 t -84.2 102.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -110.92 115.88 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.962 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.24 25.49 15.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.006 0.432 . . . . 0.0 111.244 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.23 -19.93 52.06 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.3 112.47 21.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -86.47 103.46 15.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.65 104.95 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.881 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -76.91 95.33 4.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.495 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -88.16 111.53 22.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.984 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 66.19 102.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.795 0.684 . . . . 0.0 111.124 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -71.62 101.69 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.894 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.6 -55.51 1.15 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.4 47.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.578 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -99.08 171.75 24.86 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -69.62 -24.45 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -30.85 71.0 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.113 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -71.03 -23.18 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.21 -18.96 22.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.401 0.62 . . . . 0.0 109.812 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 tptp . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.39 -177.778 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.7 152.18 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -89.55 145.75 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.384 0.611 . . . . 0.0 111.654 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.05 119.61 39.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.417 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.91 109.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.817 0.341 . . . . 0.0 110.489 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.47 ' HE1' HD12 ' B' ' 68' ' ' ILE . 87.8 t80 -100.46 111.98 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.434 ' CD1' HG23 ' B' ' 53' ' ' VAL . 54.6 m-85 -94.95 131.59 40.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.097 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.723 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 7.6 p80 -142.82 173.52 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.349 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.3 17.78 3.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.425 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.42 67.51 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.061 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.495 ' N ' ' HG ' ' B' ' 15' ' ' CYS . 19.1 m -59.02 153.55 44.22 Favored Pre-proline 0 C--N 1.328 -0.368 0 C-N-CA 122.343 0.257 . . . . 0.0 110.83 178.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.71 -38.02 65.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.065 2.51 . . . . 0.0 113.029 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.06 -28.49 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.383 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.594 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 14.3 m -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.065 0.46 . . . . 0.0 109.977 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 21.9 t -62.77 -48.98 85.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.532 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -57.43 -47.01 82.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.85 91.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' B' ' 23' ' ' ALA . 28.1 tt0 -67.58 -40.19 84.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.883 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 25.8 mt-30 -65.34 -53.93 36.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.279 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.69 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.65 -43.63 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.848 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' B' ' 19' ' ' GLU . . . -73.1 -10.0 59.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -102.42 -24.12 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.724 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.11 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.456 0.646 . . . . 0.0 109.724 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.4 mt -102.58 82.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.585 ' OD1' ' HE2' ' B' ' 30' ' ' LYS . 5.9 p-10 -78.4 153.01 79.0 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.119 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 39.4 Cg_exo -62.41 -9.98 17.32 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.79 2.993 . . . . 0.0 114.358 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.468 ' HB3' ' OD2' ' B' ' 27' ' ' ASP . 22.9 t -71.43 -24.46 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.526 0.679 . . . . 0.0 109.254 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.585 ' HE2' ' OD1' ' B' ' 27' ' ' ASP . 45.7 mtmt -102.32 -55.41 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.562 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 92.1 m-85 -137.0 120.97 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.866 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.5 m -68.59 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.553 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.61 119.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.6 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.38 111.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.913 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.33 113.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.469 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -100.33 111.18 23.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.5 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.83 -13.27 61.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.096 0.474 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.49 -26.24 74.71 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.556 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 27.0 m -86.22 -49.48 7.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.598 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' B' ' 44' ' ' ARG . 28.5 t70 -117.05 109.5 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.338 -177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -86.3 -24.49 25.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.0 3.78 7.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.002 0.43 . . . . 0.0 111.143 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.505 ' HB2' ' OD2' ' B' ' 41' ' ' ASP . 3.4 ttm180 -92.44 -0.53 57.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 72.9 mt -58.36 -42.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 175.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.81 73.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.266 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.57 -45.81 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.94 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.48 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -56.69 -43.78 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 53.3 mt-10 -53.45 -51.92 61.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -72.07 -22.61 61.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.431 -175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.25 -23.0 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.584 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.77 7.78 33.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.75 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.48 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 48.7 t -81.1 105.0 10.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.552 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.16 -17.06 24.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -151.22 151.18 31.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.626 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.2 m -74.52 -167.74 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.723 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 9.8 Cg_exo 11.14 84.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.442 0 C-N-CA 123.79 2.993 . . . . 0.0 114.581 -138.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.42 155.09 34.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.112 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.506 HD22 HD13 ' B' ' 68' ' ' ILE . 2.4 pt? -130.19 137.53 50.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.198 0.523 . . . . 0.0 111.214 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.9 t -100.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.254 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -104.79 111.29 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.595 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.95 8.84 3.37 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.146 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.56 -25.64 5.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.101 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.69 120.87 28.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.746 0.308 . . . . 0.0 110.624 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.51 124.27 34.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.311 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -117.89 123.03 44.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.336 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 70.5 m80 -87.77 120.55 29.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.364 -177.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.506 HD13 HD22 ' B' ' 59' ' ' LEU . 56.0 mt -86.57 97.91 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t30 67.15 12.67 9.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.909 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 58.23 84.72 0.1 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.175 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.2 -87.53 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.119 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.541 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.66 137.09 34.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.63 140.03 48.21 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.389 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.88 -27.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.081 0.467 . . . . 0.0 110.572 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 15.7 t70 -84.34 -3.65 58.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.71 -25.86 37.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.193 0.52 . . . . 0.0 110.068 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.11 -3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.857 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 29.5 tttm . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.758 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.475 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 15.2 m -78.44 -171.57 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' HG3' ' HB ' ' A' ' 32' ' ' THR . 77.0 tttt -115.22 150.48 36.07 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.383 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -139.14 111.27 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.869 0.366 . . . . 0.0 110.488 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.643 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 42.7 mm -97.07 122.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.107 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.445 ' HD2' HG22 ' A' ' 35' ' ' ILE . 54.7 t80 -107.23 102.0 11.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.405 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 61.7 m-85 -92.15 131.62 37.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.341 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.716 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.9 p80 -157.25 167.82 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.669 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 12.03 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.713 0.292 . . . . 0.0 111.745 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.13 6.48 84.58 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.055 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.9 m -72.06 151.24 92.66 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.602 0.201 . . . . 0.0 110.552 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.17 -41.25 73.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.62 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.206 0.527 . . . . 0.0 110.534 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.694 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 56.9 m -70.33 -42.06 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.16 -37.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -60.92 -46.78 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.604 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.02 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 30.4 tt0 -64.77 -55.3 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.72 -8.09 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -62.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.587 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.79 -44.29 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.144 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -78.32 0.2 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.701 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -97.91 -27.04 14.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.538 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -76.8 -32.41 57.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.528 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.84 128.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.884 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -85.61 132.27 45.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.54 -19.58 68.16 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.964 2.443 . . . . 0.0 113.08 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -98.7 7.35 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.18 0.514 . . . . 0.0 110.411 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 58.3 tttp -113.65 -37.86 4.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 57.8 m-85 -135.07 141.94 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.57 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 4' ' ' LYS . 6.9 m -84.52 95.4 8.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.441 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 48.5 t -88.95 116.38 30.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -172.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -117.85 113.65 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.646 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 HG22 ' HD2' ' A' ' 7' ' ' PHE . 70.3 mt -89.39 128.41 41.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.159 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.9 t -117.5 116.74 52.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -85.07 110.27 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.437 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD12 HG13 ' A' ' 56' ' ' VAL . 91.4 mt -85.61 -1.29 56.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.29 -28.96 21.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.059 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 m -75.05 -55.36 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 110.793 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -115.68 138.07 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.608 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.34 -19.28 25.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.595 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.15 63.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.075 0.464 . . . . 0.0 110.525 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -67.75 -22.01 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -66.31 -32.62 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.6 93.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.53 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.75 -46.12 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.22 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.57 -46.89 87.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.19 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.51 -46.05 91.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.19 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -75.81 -12.25 60.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.2 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.25 -18.83 24.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.1 11.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.434 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.7 t -82.76 126.21 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.308 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -101.09 -39.44 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.02 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -145.44 169.59 18.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 -173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.716 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.9 m -129.57 151.51 78.12 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.01 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.694 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 65.1 Cg_endo -74.67 140.28 66.44 Favored 'Cis proline' 0 C--O 1.234 0.317 0 C-N-CA 123.067 -1.639 . . . . 0.0 113.029 2.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -112.81 145.66 40.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 tp -123.2 101.98 7.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.904 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.643 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 48.7 t -85.15 99.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.854 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.83 98.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.7 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 59.95 19.6 8.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.972 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.6 -12.08 9.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.725 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.83 125.75 41.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.613 -0.345 . . . . 0.0 110.222 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.25 104.48 17.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.019 0.438 . . . . 0.0 111.518 -174.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -106.05 164.16 12.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -128.93 142.68 50.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.725 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.4 mt -131.92 100.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.368 0.417 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 67.11 121.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.705 0.802 . . . . 0.0 112.025 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -73.46 95.23 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.49 -51.38 2.19 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . . . -139.28 154.88 48.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.315 -0.443 . . . . 0.0 109.87 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -119.1 143.98 17.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.726 -178.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' HA ' HD11 ' A' ' 77' ' ' LEU . 17.4 tt -63.45 -28.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 110.802 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -35.28 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.624 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.11 -34.36 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.257 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 85.0 mt -55.14 -48.99 72.93 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.625 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.221 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -56.01 149.14 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.87 119.73 31.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.081 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.97 123.81 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.78 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -103.86 119.24 52.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.07 0.462 . . . . 0.0 110.571 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' B' ' 9' ' ' HIS . 87.1 t80 -95.3 122.52 38.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.348 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -105.96 124.15 49.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.469 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.94 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 5.9 p80 -135.62 172.04 13.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.408 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.9 0.31 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.598 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.0 -3.22 87.12 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.713 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 p -74.94 161.59 76.96 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.927 -0.161 . . . . 0.0 110.682 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.94 -31.18 26.29 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.34 2.694 . . . . 0.0 113.466 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.06 -29.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.464 . . . . 0.0 110.846 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 39.6 m -68.47 -32.45 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.0 -48.37 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -58.42 -47.11 85.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.06 81.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.201 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.68 -57.53 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -67.29 -31.3 71.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.061 -172.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.84 -64.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.979 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.07 -46.1 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -4.15 31.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.719 0.295 . . . . 0.0 111.61 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -110.95 -16.6 13.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.848 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.585 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.21 -46.4 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.136 0.493 . . . . 0.0 109.953 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.84 111.71 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 11.1 t70 -68.8 126.82 93.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.237 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 23.5 Cg_exo -65.19 -15.46 50.31 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.164 2.576 . . . . 0.0 113.176 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.76 -15.57 34.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.406 0.622 . . . . 0.0 109.526 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -99.35 -36.08 9.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.169 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.538 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 97.5 m-85 -136.69 160.05 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.232 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 38.3 m -95.81 105.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.537 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.8 111.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.625 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -108.1 123.07 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' B' ' 7' ' ' PHE . 64.6 mt -102.08 127.41 55.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 -175.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.96 132.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.9 114.45 23.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.074 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.6 tp -109.73 13.97 23.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.465 0.65 . . . . 0.0 110.188 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 30.84 8.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.277 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.6 m -153.89 -53.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.811 -0.229 . . . . 0.0 111.141 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.49 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 33.4 m-20 -88.0 110.48 20.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -68.52 -21.76 64.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.64 67.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.188 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 69.6 mtt-85 -80.72 -14.98 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.258 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 74.1 mt -65.15 -38.08 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.795 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.25 -36.93 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.401 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.609 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 39.3 mt-10 -69.56 -39.15 77.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.349 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.2 -37.7 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.736 177.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 31.1 mt-10 -73.96 -13.45 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.609 ' HD2' ' HA ' ' B' ' 47' ' ' GLU . 65.7 mttm -78.12 -42.46 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.77 48.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.17 26.7 6.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.29 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.9 t -76.14 127.34 37.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -106.21 -16.67 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.683 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.3 m -152.11 147.95 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.599 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.594 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.0 m -80.41 -169.74 0.22 Allowed Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.94 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.3 Cg_exo 14.69 84.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.505 0 C-N-CA 123.544 2.829 . . . . 0.0 114.44 -135.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.625 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -149.55 161.07 42.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.639 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 61.1 tp -125.57 114.74 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.967 0.413 . . . . 0.0 110.721 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.92 102.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.928 0.394 . . . . 0.0 110.461 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.3 mt -93.34 98.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.358 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 46.85 75.04 0.13 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.795 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.94 -41.71 3.08 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.555 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.33 114.8 22.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 107.28 17.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.198 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.56 100.74 11.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.073 0.463 . . . . 0.0 109.996 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.513 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.6 m80 -70.82 137.91 49.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.625 HG13 ' HA ' ' B' ' 58' ' ' ALA . 9.5 mt -95.88 -175.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -28.0 117.4 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.385 0.428 . . . . 0.0 110.614 167.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -44.47 105.74 0.06 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 124.372 1.045 . . . . 0.0 112.257 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.83 -89.13 0.63 Allowed Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.927 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.99 140.24 36.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.021 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.63 143.57 40.58 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.51 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.0 tt -65.33 -25.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.351 0.596 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.05 -31.61 68.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.325 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.87 -27.56 61.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.273 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.56 -15.34 60.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.17 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.345 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.599 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 67.4 m -151.59 171.43 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.96 0.409 . . . . 0.0 111.193 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.44 136.18 51.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 31' ' ' TYR . . . -142.44 120.44 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.324 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 32.4 mt -120.34 135.18 61.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.252 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HD1' ' HD2' ' A' ' 9' ' ' HIS . 22.2 t80 -119.05 106.18 12.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.21 126.01 40.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.08 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.6 p80 -161.92 172.92 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.35 7.11 13.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.66 15.06 60.41 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.337 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' ' 16' ' ' VAL . 14.4 m -66.24 147.33 98.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.21 -27.2 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.48 -45.26 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 19.5 p -80.75 -16.56 53.54 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.371 -175.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 12' ' ' CYS . 95.6 t -58.7 -46.06 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.198 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -61.75 -33.51 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.76 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -38.79 67.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.741 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 38.9 tt0 -67.58 -24.09 65.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.521 . . . . 0.0 110.072 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.12 -57.31 3.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.72 -66.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.43 -39.98 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.44 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -77.06 1.45 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.95 -9.34 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.392 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.64 35.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.32 101.26 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.789 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.47 164.77 14.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.953 -174.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 37.7 Cg_exo -62.33 -8.86 13.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.559 2.839 . . . . 0.0 114.921 -173.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -74.54 -22.97 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.288 0.566 . . . . 0.0 110.045 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 30.0 mtpp -110.68 -46.49 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 96.1 m-85 -134.18 143.02 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.331 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -84.15 91.16 7.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -80.55 110.91 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.562 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.17 118.44 36.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.48 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -80.54 128.82 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.346 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.81 111.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 0.0 110.366 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -88.34 116.96 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.113 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.1 mt -92.06 1.31 57.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.47 -55.98 3.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.456 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.5 m -71.13 -40.61 71.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 0.0 110.773 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.11 97.27 7.11 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.26 -7.24 59.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.356 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.89 -23.23 55.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 109.84 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -73.55 -10.21 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.756 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.93 -31.98 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.65 77.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.117 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.31 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -63.45 -54.99 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.761 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.09 -29.45 70.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.985 0.421 . . . . 0.0 110.624 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.89 -37.43 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.542 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 -24.96 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.167 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.81 4.62 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.611 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 89.4 t -70.05 114.13 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -112.24 -10.81 13.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.666 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -145.3 159.43 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.702 0.287 . . . . 0.0 110.508 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.57 145.39 42.74 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.076 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.701 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 98.4 Cg_endo -79.79 158.29 88.6 Favored 'Cis proline' 0 C--N 1.344 0.314 0 C-N-CA 123.236 -1.568 . . . . 0.0 112.742 -0.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.65 121.78 31.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -99.9 108.61 20.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.782 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 47.5 t -96.92 106.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.946 0.403 . . . . 0.0 110.67 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.4 mt -96.36 105.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.538 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 65.39 -74.62 0.05 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 111.309 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 9.05 1.81 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.109 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.39 115.17 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.753 0.311 . . . . 0.0 110.513 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.57 114.33 26.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.462 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.5 m-85 -106.65 115.13 29.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.013 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.04 111.73 10.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.987 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.701 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 51.5 mt -74.45 93.54 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 66.57 169.92 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.097 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -100.16 90.36 4.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.49 -69.14 1.39 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.571 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.4 130.13 26.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.572 0.225 . . . . 0.0 110.491 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.52 144.65 30.7 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.244 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 13.1 tt -72.31 -15.96 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.159 0.504 . . . . 0.0 110.85 -175.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -80.3 -22.63 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 109.805 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.79 -30.6 32.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.389 175.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.67 -24.6 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.458 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 65.3 mttp . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.024 0.44 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -82.57 168.99 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.658 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.481 ' HA ' ' HB ' ' B' ' 32' ' ' THR . 83.1 tttt -93.79 126.12 38.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.0 111.326 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.97 116.09 22.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.758 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.421 HD11 ' HE2' ' B' ' 4' ' ' LYS . 50.5 mt -104.44 127.67 58.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.45 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.481 ' HD2' HG23 ' B' ' 35' ' ' ILE . 80.9 t80 -104.76 128.18 52.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -113.1 133.38 55.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.739 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 27.1 p80 -149.94 176.37 10.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.209 -0.197 . . . . 0.0 110.749 174.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 12.69 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.06 0.71 80.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.812 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.404 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 50.2 m -61.67 159.1 36.41 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.878 0.339 . . . . 0.0 110.563 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 9.5 Cg_endo -53.69 -37.59 84.04 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.757 2.304 . . . . 0.0 112.108 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.34 -31.94 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.603 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 50.0 m -65.52 -43.88 88.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.04 -45.29 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 27.0 t -64.87 -42.62 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.075 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.6 86.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.305 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 15' ' ' CYS . 50.7 mt-10 -65.27 -53.96 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.0 -69.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.532 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.17 -49.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -7.19 47.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.727 0.299 . . . . 0.0 111.549 -176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -109.97 -9.92 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.0 110.729 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -42.21 50.07 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.18 113.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.474 ' HB2' ' HD2' ' A' ' 30' ' ' LYS . 9.9 t70 -73.13 136.75 79.07 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.15 -172.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.01 -20.03 68.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.126 2.551 . . . . 0.0 112.666 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -97.19 2.75 51.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 110.285 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -106.2 -41.84 5.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -140.92 161.24 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.607 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' B' ' 4' ' ' LYS . 23.5 m -85.63 95.47 9.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.8 117.51 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -119.48 119.44 33.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.229 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.17 121.51 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.64 120.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 110.951 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -84.33 108.45 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.314 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.696 HD13 HG13 ' B' ' 56' ' ' VAL . 86.6 mt -79.74 -24.1 41.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 111.086 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 45.34 3.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.268 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 86.4 m -141.06 -52.59 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 110.469 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.586 ' HB3' ' HG3' ' B' ' 44' ' ' ARG . 11.8 t70 -115.38 131.85 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.59 -26.71 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.53 -22.5 57.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.586 ' HG3' ' HB3' ' B' ' 41' ' ' ASP . 1.4 mmp_? -62.55 -33.0 74.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.48 -48.58 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.812 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.13 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.518 ' OE2' ' HA ' ' B' ' 44' ' ' ARG . 39.5 mt-10 -62.85 -44.59 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.403 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.32 -40.05 89.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.532 0.206 . . . . 0.0 111.08 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.84 -29.37 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 111.164 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.52 -10.45 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.23 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.59 1.1 34.8 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.275 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.33 108.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.09 0.471 . . . . 0.0 110.368 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -101.13 -12.32 18.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.484 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.6 m -143.39 145.28 32.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.631 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.696 HG13 HD13 ' B' ' 38' ' ' LEU . 14.2 m -76.47 -171.23 0.24 Allowed Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.739 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 2.3 Cg_exo 12.97 93.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 123.657 2.905 . . . . 0.0 114.757 -133.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.24 151.03 37.74 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.253 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 tp -122.86 119.54 30.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.427 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.35 105.44 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -100.31 105.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.09 23.09 11.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.546 0.689 . . . . 0.0 111.349 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.13 -25.54 9.86 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.382 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.57 112.31 19.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.679 0.276 . . . . 0.0 110.462 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.94 111.72 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.076 0.465 . . . . 0.0 111.638 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -113.36 111.98 22.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.555 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.7 m80 -65.51 129.2 38.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.0 mm -94.65 96.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.082 0.468 . . . . 0.0 110.155 -175.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 4.6 t-20 67.3 -174.1 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.356 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -90.84 93.43 9.22 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.87 -103.68 0.48 Allowed Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.872 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.585 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -140.29 159.0 43.16 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.012 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.66 123.06 6.53 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.477 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 tt -65.72 -19.72 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 121.425 0.631 . . . . 0.0 110.52 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.499 ' HA ' ' HZ3' ' B' ' 78' ' ' LYS . 28.7 t70 -69.67 -23.82 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.713 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.96 -23.38 66.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.414 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.72 -8.35 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.499 ' HZ3' ' HA ' ' B' ' 75' ' ' ASP . 54.5 mttp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 121.057 0.456 . . . . 0.0 110.083 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 121.227 0.537 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -89.32 -174.45 4.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HE3' HD12 ' A' ' 6' ' ' ILE . 65.2 pttt -125.42 165.0 19.21 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.833 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -130.44 113.29 14.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.701 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.485 HD12 ' HE3' ' A' ' 4' ' ' LYS . 29.9 mt -95.91 119.84 44.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 110.336 -175.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.585 ' HD1' ' HG ' ' A' ' 59' ' ' LEU . 47.5 t80 -102.28 103.0 13.45 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.987 -176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.83 126.8 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.961 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.499 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 17.7 p80 -154.3 -179.56 8.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.61 0.243 . . . . 0.0 110.774 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 18.69 10.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.682 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.65 3.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.823 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -113.64 146.6 35.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.37 -35.92 98.86 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.022 2.481 . . . . 0.0 112.393 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.23 -38.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.288 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 17.5 m -67.15 -45.5 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.083 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.33 -37.39 63.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 m -62.3 -38.28 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.359 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.8 67.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.899 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 15' ' ' CYS . 57.7 mt-10 -65.93 -39.8 90.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.55 -28.95 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.97 -71.1 0.72 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.75 -47.91 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.538 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -11.45 60.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.555 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.73 -7.57 20.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.057 0.456 . . . . 0.0 110.75 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.45 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.88 116.21 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.895 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.9 t70 -70.99 132.09 86.85 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 39.1 Cg_exo -58.37 -37.65 94.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.447 2.765 . . . . 0.0 113.763 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -85.76 1.52 49.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.284 0.564 . . . . 0.0 110.855 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -96.15 -53.42 3.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -137.01 121.82 18.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.093 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.4 m -71.26 108.87 4.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.941 0.4 . . . . 0.0 111.188 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.3 t -83.11 123.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.89 115.2 29.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 7' ' ' PHE . 45.3 mm -87.39 117.92 32.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.09 126.05 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 0.0 111.239 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -96.25 107.86 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.039 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.22 -10.38 59.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.534 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.37 -23.42 68.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.299 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -93.2 -14.13 27.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.017 0.437 . . . . 0.0 110.99 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 12.1 t70 -137.61 113.26 9.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.857 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HA ' HG13 ' A' ' 45' ' ' ILE . 99.1 mttt -89.12 -9.25 51.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.426 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.45 -37.62 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.077 0.465 . . . . 0.0 109.918 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HG3' ' OD1' ' A' ' 41' ' ' ASP . 55.1 mtt180 -68.73 -17.55 64.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.879 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 74' ' ' ILE . 60.4 mt -60.2 -42.73 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.294 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.32 88.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.19 -43.08 92.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.352 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.04 -41.04 99.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 49.2 mt-10 -58.62 -48.9 79.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.958 177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.33 -35.0 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.984 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.18 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.94 32.81 0.97 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.304 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.425 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 63.7 t -96.99 110.67 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -106.14 -17.27 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.198 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.418 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 19.7 m -143.26 156.69 44.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.499 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.5 m -122.89 145.82 46.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.968 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' ' 68' ' ' ILE . 95.4 Cg_endo -80.77 151.93 81.4 Favored 'Cis proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.11 -1.621 . . . . 0.0 113.135 1.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -125.69 130.92 52.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.036 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HG ' ' HD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -105.27 107.89 19.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.149 0.499 . . . . 0.0 109.994 -178.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 5' ' ' ALA . 48.0 t -88.48 94.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.363 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 39.5 mt -91.8 121.08 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 4.2 m-20 71.03 -53.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.812 0.695 . . . . 0.0 110.909 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.55 -21.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.299 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.83 137.49 32.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.973 0.386 . . . . 0.0 110.461 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.83 107.13 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.924 0.393 . . . . 0.0 111.455 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.1 114.77 29.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.856 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 69.2 m80 -72.14 148.12 45.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.47 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.568 HD11 HD13 ' A' ' 59' ' ' LEU . 64.0 mt -119.42 103.14 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 92.5 m-20 66.62 -178.7 0.2 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.612 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -123.47 90.52 3.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.56 -62.32 1.64 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 152.21 46.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.0 163.24 26.67 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.327 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.494 HD12 HG23 ' A' ' 45' ' ' ILE . 10.8 tp -73.69 -26.6 21.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 109.914 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.09 -33.41 44.46 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.272 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.13 -17.86 58.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.107 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.6 tp -69.15 -34.38 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 178.736 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.705 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 44.2 m -80.06 167.92 19.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.029 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.458 ' HG3' ' OE2' ' B' ' 34' ' ' GLU . 59.8 tttp -83.67 88.91 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.4 104.65 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.852 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.405 HD12 ' HE3' ' B' ' 4' ' ' LYS . 42.3 mt -96.96 117.85 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -176.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.474 ' HE1' HD12 ' B' ' 68' ' ' ILE . 88.1 t80 -98.64 119.58 37.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.007 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.495 ' HB3' HD11 ' B' ' 38' ' ' LEU . 91.5 m-85 -102.17 122.74 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 10.1 p80 -142.5 173.25 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.09 19.57 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.727 0.299 . . . . 0.0 111.212 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.27 64.6 2.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.367 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -133.27 157.49 78.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.05 -33.08 88.72 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.696 2.264 . . . . 0.0 112.107 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -60.88 -36.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.704 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 20.3 m -68.42 -36.53 79.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 -51.04 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.6 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.295 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.65 -51.65 53.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.961 0.41 . . . . 0.0 111.185 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -71.22 -16.4 62.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.082 -173.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.05 -66.47 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 111.397 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -48.81 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.317 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.93 4.94 10.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -107.4 -33.46 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.27 83.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.594 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -93.62 97.2 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.988 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -58.45 133.83 85.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.592 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 29.7 Cg_endo -64.67 -14.37 44.28 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.844 2.363 . . . . 0.0 111.567 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.34 -19.75 38.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.956 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -98.54 -43.48 6.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.511 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 2' ' ' ALA . 90.4 m-85 -136.38 138.77 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.424 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -77.36 100.34 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.49 120.63 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.5 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.458 ' OE2' ' HG3' ' B' ' 4' ' ' LYS . 47.7 mt-10 -106.39 121.37 44.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.342 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -87.74 107.38 17.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.071 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.71 117.54 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -88.59 113.09 23.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.039 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' B' ' 8' ' ' TYR . 52.5 mt -81.66 -15.17 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.049 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.25 -19.81 71.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.532 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -72.43 -47.88 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.424 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 54.2 m-20 -127.27 121.99 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 -176.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -74.73 -18.71 60.46 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.76 -22.02 66.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.505 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.493 ' HG2' ' OE1' ' B' ' 47' ' ' GLU . 72.3 mtt180 -75.52 -18.11 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.957 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.8 -37.02 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.493 ' OE1' ' HG2' ' B' ' 44' ' ' ARG . 42.1 mt-10 -73.48 -33.07 64.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 109.998 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.513 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -64.1 -35.18 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.063 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.11 -31.98 73.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.69 175.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 66.3 mttm -69.09 -51.24 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.349 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.35 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.472 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.69 42.8 3.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.912 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 58.0 t -91.87 119.63 39.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.655 0.264 . . . . 0.0 110.359 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.76 -29.01 17.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.44 . . . . 0.0 110.672 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -140.35 137.98 34.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.895 0.379 . . . . 0.0 111.183 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.715 HG22 ' HD2' ' B' ' 57' ' ' PRO . 15.6 m -79.02 -161.1 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.55 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.999 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' B' ' 56' ' ' VAL . 0.7 OUTLIER 11.8 92.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 123.531 2.821 . . . . 0.0 114.454 -135.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' B' ' 66' ' ' PHE . . . -144.39 175.67 9.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 113.753 -1.567 . . . . 0.0 110.77 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.79 117.48 10.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.05 106.37 20.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 110.285 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.62 92.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.714 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.705 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 13.1 t70 48.65 69.04 0.6 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.611 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.24 -35.66 3.94 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.836 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 111.67 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.31 123.0 34.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.834 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' B' ' 58' ' ' ALA . 67.8 m-85 -129.46 154.94 46.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.547 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.18 139.0 50.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.474 HD12 ' HE1' ' B' ' 7' ' ' PHE . 60.5 mt -97.08 102.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.442 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 91.0 m-20 60.76 -161.16 0.29 Allowed 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -168.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -105.13 94.46 5.25 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 172.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.56 -90.01 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.35 -0.928 . . . . 0.0 110.892 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.555 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -140.2 128.08 21.97 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.116 174.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.75 136.69 50.1 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.115 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.5 tt -65.04 -19.97 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 117.434 0.617 . . . . 0.0 110.187 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.01 -43.93 97.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.053 173.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.65 -26.09 41.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.293 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.929 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 110.255 178.627 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.447 -0.616 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 12.9 m -62.12 148.51 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.897 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -73.09 101.51 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.027 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -94.86 103.9 15.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.967 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 28.8 mt -96.73 116.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -99.07 114.97 27.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.466 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 44.8 m-85 -99.57 119.77 38.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.14 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 6.8 p80 -140.19 162.88 34.21 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.794 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.17 17.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.629 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.02 27.67 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.357 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 28.9 p -97.22 168.33 10.4 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 78.8 Cg_exo -49.88 -39.78 48.88 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.712 2.275 . . . . 0.0 112.823 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.01 -35.09 66.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.088 0.47 . . . . 0.0 110.665 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 84.1 m -69.64 -40.04 76.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.93 -44.75 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 m -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.86 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -79.98 -4.35 52.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 -65.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.459 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.33 -48.0 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.028 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.26 3.46 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -106.63 -28.53 10.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.378 0.609 . . . . 0.0 109.5 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.67 -35.27 67.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.89 92.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.065 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 7.9 p-10 -94.18 153.7 40.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.757 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 18.3 Cg_endo -59.05 -13.61 19.81 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.67 2.913 . . . . 0.0 114.332 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.02 -33.7 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.977 0.418 . . . . 0.0 110.168 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 54.4 tttp -100.7 -47.69 4.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.729 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 93.7 m-85 -136.31 124.9 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.613 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 19.7 m -81.39 123.84 28.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.039 0.447 . . . . 0.0 111.026 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 39.7 t -102.61 135.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.793 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -108.26 138.73 44.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.121 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.13 118.5 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.578 0.227 . . . . 0.0 110.751 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.8 123.19 70.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -99.41 114.39 27.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.031 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 56' ' ' VAL . 88.6 mt -88.34 -9.68 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 39.38 3.0 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.324 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.8 m -152.23 -68.24 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.323 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 9.5 t70 -89.7 136.48 33.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.39 -23.41 32.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.64 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.563 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 1.7 mmp_? -52.62 -41.92 64.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.099 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.67 -45.29 95.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -58.65 -43.22 89.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.685 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.51 -40.95 96.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.843 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.38 77.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.871 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.24 -14.51 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 66.4 mttm -85.84 -39.12 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.461 . . . . 0.0 109.802 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.73 -34.86 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.569 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.55 40.17 1.8 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.742 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.39 132.67 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.09 -38.98 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.443 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 45.5 m -146.39 167.07 24.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG12 HD11 ' A' ' 38' ' ' LEU . 30.7 m -122.94 151.1 60.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.661 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.6 Cg_endo -76.18 155.66 98.48 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 123.213 -1.578 . . . . 0.0 112.929 0.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' ' 8' ' ' TYR . . . -125.24 154.66 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.624 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.245 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 58.6 t -91.24 107.44 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 63' ' ' GLY . 49.1 mm -93.49 97.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.587 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 26.2 t70 72.09 -21.98 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.588 0.755 . . . . 0.0 112.224 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.44 -27.84 0.18 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.08 130.5 34.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.9 110.0 22.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.417 . . . . 0.0 111.411 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.86 164.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.891 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.493 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -122.35 149.39 43.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.661 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 mm -111.91 103.63 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 67' ' ' HIS . 87.3 m-20 65.36 -168.95 0.2 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.518 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -124.15 84.76 2.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.07 -70.7 1.32 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.252 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 146.28 39.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.464 0.173 . . . . 0.0 110.803 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.461 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -87.72 141.08 16.97 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.582 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 tt -69.93 -26.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.864 0.364 . . . . 0.0 111.309 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -76.34 -34.5 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.457 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.29 -25.83 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.468 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -69.12 -13.93 62.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.966 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.527 178.07 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.667 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 59.9 m -84.51 172.93 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' B' ' 62' ' ' ASP . 28.2 mtpp -71.53 132.39 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.177 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 85.27 2.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.72 120.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -98.33 129.93 45.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.88 130.48 55.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.663 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -158.07 160.75 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.433 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 20.79 15.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.53 89.74 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.443 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.474 ' O ' HG21 ' B' ' 16' ' ' VAL . 23.6 p -156.96 160.17 30.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' B' ' 12' ' ' CYS . 13.9 Cg_endo -57.18 -32.24 92.91 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.521 2.147 . . . . 0.0 112.701 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.72 -45.44 95.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.48 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.873 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 22.0 p -76.41 -23.09 54.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.568 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 12' ' ' CYS . 64.2 t -61.8 -35.72 69.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -61.73 -49.39 76.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.992 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.43 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.919 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.48 -50.01 75.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.301 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -89.14 -1.14 57.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.58 -69.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.596 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.92 -43.7 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.82 -1.18 26.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.269 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -106.15 -16.1 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.637 0.732 . . . . 0.0 109.203 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -80.6 -37.97 30.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.015 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.12 114.17 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 16.3 t70 -64.92 128.06 93.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.449 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.2 -23.4 73.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.432 2.755 . . . . 0.0 113.997 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.5 p -104.28 -3.69 23.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 52.9 tttp -84.98 -39.42 18.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.667 ' HD1' ' H ' ' B' ' 3' ' ' SER . 60.1 m-85 -140.02 163.35 32.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.0 m -78.38 93.75 4.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.34 112.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.219 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.98 141.93 49.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.832 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.35 115.14 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.17 113.9 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.137 0.494 . . . . 0.0 110.443 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -91.6 111.74 23.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.91 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.565 HD11 HG13 ' B' ' 56' ' ' VAL . 55.9 mt -90.27 -6.99 54.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.791 -177.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.56 38.74 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.566 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -156.68 -45.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 109.791 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.612 ' HB3' ' HD2' ' B' ' 44' ' ' ARG . 14.2 t70 -109.7 122.32 47.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.425 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.13 -20.29 41.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.165 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.27 79.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.096 0.474 . . . . 0.0 110.137 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.612 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 67.1 mtt85 -60.15 -32.34 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.232 175.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -44.52 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.07 0.462 . . . . 0.0 110.063 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -10.58 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.11 -36.06 12.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 110.137 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.78 87.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.25 -16.62 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.529 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -77.07 -51.92 10.22 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.02 -33.89 75.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.17 33.96 1.42 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.261 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.73 104.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -77.81 -30.43 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.587 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.585 ' HG ' ' CD2' ' B' ' 67' ' ' HIS . 10.3 p -151.46 154.8 37.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.588 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.6 m -71.94 -167.39 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.448 174.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.873 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 6.6 Cg_exo 12.57 91.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.057 3.171 . . . . 0.0 115.383 -136.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.81 154.51 37.42 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.635 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tt -131.55 129.36 40.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 109.962 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.89 111.74 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -99.09 118.66 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.516 ' O ' ' HD3' ' B' ' 4' ' ' LYS . 26.6 t70 67.31 -68.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.959 0.904 . . . . 0.0 111.353 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.62 19.12 0.16 Allowed Glycine 0 C--N 1.312 -0.752 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.2 132.46 53.0 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.53 115.79 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.305 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -115.14 114.25 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.039 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' B' ' 55' ' ' SER . 72.1 m80 -72.35 131.1 42.19 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.315 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 43.0 mm -92.25 99.31 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.493 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.8 m-20 66.07 -171.45 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -100.11 101.22 12.21 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.92 0.1 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.288 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.13 132.33 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.398 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' B' ' 77' ' ' LEU . . . -58.61 124.69 37.36 Favored Glycine 0 C--O 1.229 -0.219 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.642 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' B' ' 77' ' ' LEU . 16.3 tt -67.65 -25.0 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 117.155 0.477 . . . . 0.0 111.289 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.05 -30.06 39.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.1 -24.2 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.708 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 73' ' ' GLY . 93.8 mt -70.9 -11.87 61.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.05 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.482 0.658 . . . . 0.0 109.319 174.112 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.71 140.84 29.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -79.15 112.04 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.357 0.598 . . . . 0.0 111.326 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -108.62 106.79 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.557 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.01 116.04 36.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 110.3 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 61.2 t80 -100.79 98.51 9.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 54.6 m-85 -86.05 108.19 18.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.963 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 8.2 p80 -119.62 161.49 20.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.738 0.304 . . . . 0.0 110.69 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.32 -4.64 31.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.285 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' HA3' ' HE2' ' A' ' 37' ' ' HIS . . . 83.97 -0.56 89.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.35 157.08 83.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.25 -41.49 50.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.185 2.59 . . . . 0.0 112.624 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.27 -38.03 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 9' ' ' HIS . 61.1 m -66.95 -37.11 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.142 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.516 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 60.2 t -64.13 -47.35 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.434 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 m -59.57 -39.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.5 -47.69 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 96.4 mt-30 -58.32 -35.34 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.592 -177.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.68 -65.74 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.01 -48.07 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.02 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -103.04 -3.6 25.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.301 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.26 -31.62 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.242 0.544 . . . . 0.0 109.675 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.17 96.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.268 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 9.3 m-20 -58.37 130.83 84.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.077 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 34.6 Cg_exo -61.73 -15.45 42.36 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.247 2.631 . . . . 0.0 112.95 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -88.41 -23.65 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 0.0 110.014 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -79.12 -47.77 15.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 94.0 m-85 -140.01 138.0 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.931 173.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -75.97 101.68 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 0.0 111.603 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.0 131.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -114.92 104.19 11.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.936 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.96 119.52 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.385 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 59.1 t -128.96 125.64 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.444 ' HE2' ' HA3' ' A' ' 11' ' ' GLY . 54.2 t-80 -85.68 119.8 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.4 tp -110.55 4.16 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 110.582 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.76 -31.86 42.99 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -93.84 -41.46 9.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.011 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -76.36 101.78 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.069 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -83.05 -10.56 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -33.56 32.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.892 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -76.26 4.02 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.26 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.76 -33.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.18 75.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.012 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 32.0 tt0 -73.32 -26.88 61.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.18 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.818 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.66 -28.11 68.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.243 0.544 . . . . 0.0 110.358 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 47' ' ' GLU . 62.0 tttm -70.61 -38.79 74.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.113 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.17 -35.05 14.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.623 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.11 20.84 5.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.984 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.07 107.58 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -100.7 -16.62 17.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -154.05 165.23 36.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.7 145.07 48.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.559 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.08 145.79 55.98 Favored 'Cis proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.12 -1.617 . . . . 0.0 112.766 0.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.53 126.56 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.837 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -101.1 101.97 12.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.4 t -85.47 97.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' C ' ' H ' ' A' ' 63' ' ' GLY . 58.9 mt -90.39 107.26 18.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.019 -177.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 72.87 -23.22 0.21 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.728 0.642 . . . . 0.0 111.759 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 152.53 -10.85 0.62 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.94 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.06 117.55 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -83.63 113.26 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.387 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -104.53 108.06 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.214 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 56.4 m80 -79.32 117.53 20.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.182 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.71 98.87 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.687 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 68.52 121.23 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.928 0.767 . . . . 0.0 111.195 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -72.43 96.9 1.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.958 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.32 -61.93 1.3 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 134.88 33.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.4 159.02 23.13 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.715 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.91 -32.25 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.81 -32.91 74.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.0 110.73 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.08 -42.94 36.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.878 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.76 -25.63 53.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.323 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 tttm . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.583 0.706 . . . . 0.0 110.137 -176.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.552 ' HB2' ' CD2' ' B' ' 31' ' ' TYR . 17.1 m -64.47 151.51 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.301 -175.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 1.6 tpmt? -61.38 139.56 58.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.237 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' B' ' 33' ' ' VAL . . . -141.72 97.4 3.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.2 mm -104.3 117.58 50.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -100.56 121.87 42.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.316 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 83.1 m-85 -102.64 129.36 49.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.347 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.867 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 28.5 p80 -150.11 172.38 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.843 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.09 -7.01 11.92 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.06 -3.16 55.34 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.155 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.532 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 58.2 m -66.28 163.9 35.22 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.259 0.224 . . . . 0.0 110.525 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 6.6 Cg_endo -49.09 -42.72 38.45 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.22 2.613 . . . . 0.0 112.831 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.28 -34.31 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.162 0.506 . . . . 0.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 33.5 m -66.28 -40.55 90.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.389 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.41 -50.79 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.763 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.71 -44.02 90.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.52 65.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.478 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -64.17 -33.2 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 110.631 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.31 -63.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.352 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 -49.11 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -171.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.505 HG23 HG22 ' B' ' 68' ' ' ILE . 44.3 t -68.06 -41.2 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -171.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.72 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -98.29 -3.86 36.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -88.47 -43.45 11.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.656 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -75.62 125.72 35.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 14.5 t70 -69.98 124.8 91.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.362 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -11.72 31.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.205 2.604 . . . . 0.0 113.23 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -99.6 -9.29 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.41 0.624 . . . . 0.0 109.642 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 36.9 tttp -93.54 -45.66 7.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.223 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' B' ' 3' ' ' SER . 93.8 m-85 -129.03 149.17 50.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.647 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.7 m -86.93 92.2 8.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.012 0.434 . . . . 0.0 110.067 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.453 ' HA ' ' HB1' ' B' ' 5' ' ' ALA . 40.2 t -84.48 115.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.021 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -121.86 134.78 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -97.59 125.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.518 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' B' ' 8' ' ' TYR . 90.1 t -121.96 127.84 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.26 124.18 31.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.12 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 tp -126.33 108.87 11.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.196 0.522 . . . . 0.0 109.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.71 -58.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.082 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -80.66 -10.04 59.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.629 0.728 . . . . 0.0 109.842 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -103.6 106.55 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.971 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -88.84 -9.46 51.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.95 -49.73 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 0.0 111.067 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -82.25 10.14 7.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.981 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.46 HG21 HD12 ' B' ' 74' ' ' ILE . 55.3 mt -61.72 -37.01 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 171.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.93 -29.84 70.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.942 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.83 -40.72 83.75 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.925 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' B' ' 53' ' ' VAL . . . -60.14 -40.08 88.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.98 -29.24 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.915 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 97.8 mttt -71.43 -41.7 69.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 110.626 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.3 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.67 23.2 8.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.919 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' B' ' 48' ' ' ALA . 43.3 t -81.94 102.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.16 -16.6 32.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.249 0.547 . . . . 0.0 110.662 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.9 m -148.34 143.35 26.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.788 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.558 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 10.2 m -71.72 -169.23 0.11 Allowed Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.867 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 16.09 86.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 0 C-N-CA 123.792 2.995 . . . . 0.0 115.009 -135.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.6 152.77 30.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.093 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tt -123.49 128.11 49.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 35.7 t -98.24 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.566 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.35 101.67 12.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.931 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.522 ' HA ' ' HB3' ' B' ' 4' ' ' LYS . 27.5 t70 66.0 -70.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.099 0.96 . . . . 0.0 111.585 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.38 8.05 1.84 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.981 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.79 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -87.46 120.6 28.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -114.63 120.38 39.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.131 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.424 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.2 m80 -77.49 118.97 20.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.907 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.505 HG22 HG23 ' B' ' 22' ' ' VAL . 58.6 mt -108.05 94.91 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 66.22 118.2 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.14 0 O-C-N 124.084 0.865 . . . . 0.0 109.649 -170.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -55.06 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.992 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.37 -90.83 0.29 Allowed Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.534 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.516 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.73 136.35 34.09 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.252 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.94 134.57 17.37 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.298 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.46 HD12 HG21 ' B' ' 45' ' ' ILE . 14.9 tt -68.44 -24.29 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.315 0.579 . . . . 0.0 109.625 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' B' ' 78' ' ' LYS . 4.5 m-20 -63.39 -25.64 68.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.922 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -74.17 -36.35 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.57 -25.64 57.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' B' ' 75' ' ' ASP . 52.5 mttm . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.857 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.968 0.413 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.38 155.72 19.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -89.7 138.82 31.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.085 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.11 113.25 21.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.229 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mt -95.12 121.35 45.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' HD2' HG22 ' A' ' 35' ' ' ILE . 73.6 t80 -104.1 102.73 12.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -89.94 122.74 33.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.275 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 11.6 p80 -133.79 175.28 9.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.628 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.95 19.39 10.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.331 -177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.88 19.92 78.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.893 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.6 151.54 61.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.61 -38.86 84.39 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.727 2.284 . . . . 0.0 112.308 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -60.67 -35.7 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.873 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 35.2 m -65.56 -39.81 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.15 -40.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -63.6 -37.65 88.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.675 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.53 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.591 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 35.4 tt0 -64.06 -43.02 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.036 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.86 -22.02 46.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.056 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.27 -67.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.54 -44.44 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.328 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -74.82 -4.27 36.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.568 -177.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -101.73 -15.08 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 110.4 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.64 -32.95 20.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.354 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.06 108.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.531 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.65 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 7.7 t70 -70.44 129.54 90.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.77 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 32.2 Cg_exo -59.8 -18.47 49.08 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.266 2.644 . . . . 0.0 112.996 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -76.72 -17.79 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.462 . . . . 0.0 110.362 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -104.06 -44.65 4.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.365 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 82.7 m-85 -138.18 141.62 40.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.467 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.5 m -90.58 108.26 19.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.058 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -84.16 111.99 20.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.12 106.32 15.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.004 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.63 HG22 ' HD2' ' A' ' 7' ' ' PHE . 64.2 mt -89.87 123.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.58 127.71 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -76.99 106.43 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 45' ' ' ILE . 33.4 tp -76.65 -12.03 59.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.987 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.22 -8.09 75.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.246 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -85.7 -40.85 15.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -116.0 121.59 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.69 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.12 -25.43 34.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.34 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.991 0.424 . . . . 0.0 110.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.51 -24.06 65.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.505 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 38' ' ' LEU . 69.9 mt -62.12 -43.16 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.205 0.526 . . . . 0.0 109.665 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.14 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.697 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.36 -42.06 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.107 0.479 . . . . 0.0 109.883 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -60.68 -35.25 75.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.168 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' CD ' ' HZ2' ' A' ' 78' ' ' LYS . 43.5 mt-10 -66.96 -25.0 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -82.16 -26.66 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.346 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.65 16.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.804 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.65 24.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.954 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 92.5 t -86.4 125.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -123.78 -10.32 7.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.391 . . . . 0.0 110.945 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.459 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 30.2 m -152.41 172.73 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.013 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.01 144.1 51.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.591 0.234 . . . . 0.0 110.54 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.33 157.6 78.39 Favored 'Cis proline' 0 C--N 1.343 0.288 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.72 -0.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.0 tp -98.99 100.73 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.793 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.6 t -90.34 96.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.547 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.44 98.19 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 65.68 4.31 2.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.906 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.66 -30.62 2.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.09 114.37 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.53 112.49 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -106.79 111.01 23.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.183 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 53.4 m80 -77.32 108.39 10.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.312 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.416 HD12 ' HE1' ' A' ' 7' ' ' PHE . 62.9 mt -85.35 102.51 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.87 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 64.77 102.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.32 104.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.139 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.84 -60.53 0.97 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 162.73 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -91.95 166.67 30.08 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.536 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.0 tt -72.44 -17.11 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.582 0.706 . . . . 0.0 109.608 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -80.57 -24.35 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.86 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.49 -27.45 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.16 0.505 . . . . 0.0 109.945 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.73 -24.11 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.369 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HZ2' ' CD ' ' A' ' 49' ' ' GLU . 66.2 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.77 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -82.9 153.29 25.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.511 ' HE3' HD13 ' B' ' 6' ' ' ILE . 54.5 pttt -87.23 136.59 32.87 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.284 -175.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.73 121.28 44.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.68 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.511 HD13 ' HE3' ' B' ' 4' ' ' LYS . 36.7 mt -95.69 120.09 44.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.12 0.486 . . . . 0.0 110.863 -171.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -100.23 104.23 15.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.803 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -91.78 122.99 34.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.311 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.786 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.0 p80 -144.1 178.35 7.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.87 9.56 6.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.655 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.99 -24.59 17.5 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.284 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -51.57 147.74 10.6 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.388 0.275 . . . . 0.0 111.174 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.1 -30.03 23.86 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.495 2.797 . . . . 0.0 113.744 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.57 -36.81 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.1 m -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.086 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.57 -42.6 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.868 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -59.67 -47.88 83.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.79 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.653 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.11 -53.19 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.98 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.23 -51.97 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.659 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -54.57 6.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.0 -37.39 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.21 -13.72 61.2 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -96.59 -22.88 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.288 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.31 30.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.034 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -84.34 122.37 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.016 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.489 ' HB2' ' HG3' ' B' ' 30' ' ' LYS . 30.5 m-20 -75.19 131.66 77.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.709 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.517 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 36.0 Cg_exo -61.3 -17.15 51.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.812 2.342 . . . . 0.0 111.901 175.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -73.82 -27.2 61.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.64 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.65 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 67.0 mttm -83.84 -49.87 8.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.367 0.603 . . . . 0.0 109.547 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 98.0 m-85 -136.2 132.93 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.72 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -75.63 112.41 11.96 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.47 109.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 0.0 110.479 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.19 103.91 15.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.909 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.71 123.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.659 HG12 ' HG2' ' B' ' 44' ' ' ARG . 54.3 t -125.66 120.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 110.944 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -92.8 99.31 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.995 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.518 HD11 HG11 ' B' ' 56' ' ' VAL . 51.0 mt -80.91 -1.26 42.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.13 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.85 -3.02 88.3 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.054 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 -55.17 2.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.056 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.14 121.14 37.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.237 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' B' ' 45' ' ' ILE . 89.3 mttt -89.72 -18.84 25.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.506 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -62.65 -48.5 79.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.837 0.351 . . . . 0.0 110.748 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.659 ' HG2' HG12 ' B' ' 36' ' ' VAL . 0.7 OUTLIER -67.98 -26.94 66.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' B' ' 42' ' ' LYS . 61.8 mt -58.18 -54.41 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.747 0.308 . . . . 0.0 110.797 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.57 77.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.53 ' CD ' HH21 ' B' ' 44' ' ' ARG . 40.3 mt-10 -66.92 -41.31 87.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.31 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.17 90.09 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.434 ' CD ' ' HZ2' ' B' ' 78' ' ' LYS . 43.7 mt-10 -56.1 -42.53 76.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 176.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.65 -18.73 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.77 -30.94 51.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.42 5.68 7.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.43 111.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -90.12 -25.56 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.401 -174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -149.39 156.55 42.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.943 0.401 . . . . 0.0 111.65 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.564 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 9.1 m -79.02 -167.66 0.14 Allowed Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.786 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.9 OUTLIER 12.71 84.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 123.607 2.871 . . . . 0.0 114.544 -135.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.402 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -144.83 147.95 33.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.886 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt -119.43 112.34 19.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 47.2 t -90.89 102.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.217 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.85 95.65 5.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.183 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 45.87 75.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.22 -38.78 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.321 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.79 38.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.052 0.426 . . . . 0.0 111.13 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.54 118.43 30.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.468 . . . . 0.0 111.329 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.53 103.37 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.148 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.59 127.34 32.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.061 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 47.3 mm -97.73 93.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' B' ' 68' ' ' ILE . 87.0 m-20 71.14 171.96 0.32 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.127 -168.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -91.06 92.03 8.54 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.21 -96.07 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.462 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.551 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.71 132.48 29.09 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.601 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.75 128.26 44.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.559 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.89 -23.76 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.43 0.633 . . . . 0.0 110.407 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -76.92 -32.26 57.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.934 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -21.26 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.906 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.19 -17.12 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.595 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.434 ' HZ2' ' CD ' ' B' ' 49' ' ' GLU . 63.9 mttm . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.108 0.48 . . . . 0.0 109.97 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.637 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 19.3 p -84.32 -160.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -120.63 153.66 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.511 0.672 . . . . 0.0 112.296 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.22 116.34 16.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.413 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.589 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 13.4 mt -102.77 118.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.585 ' HB3' HG12 ' A' ' 35' ' ' ILE . 64.3 t80 -97.07 114.08 25.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.267 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' HB3' HD11 ' A' ' 38' ' ' LEU . 89.2 m-85 -101.38 128.64 47.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.349 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -149.12 178.1 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.411 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.74 10.61 9.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.92 -15.43 60.8 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.602 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.59 136.25 82.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.434 0.294 . . . . 0.0 110.805 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.53 -23.91 5.85 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.689 2.926 . . . . 0.0 114.128 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.5 -34.48 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.065 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -77.1 -26.82 53.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.585 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.18 -47.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -57.62 -47.42 82.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.205 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.07 91.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.749 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.43 -54.75 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.985 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.4 -20.8 65.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.629 -174.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.19 -65.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.713 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 t -80.27 -50.74 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.78 -171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.45 -26.86 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.943 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -81.14 -24.65 37.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.234 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.64 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.051 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.7 109.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.58 138.09 88.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 44.1 Cg_endo -69.0 -3.25 11.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.95 2.434 . . . . 0.0 112.184 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -95.59 -14.29 23.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.11 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -98.14 -39.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.294 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 61.8 m-85 -141.72 146.47 36.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.821 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -77.75 98.59 5.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.429 . . . . 0.0 110.383 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -81.52 118.47 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.409 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 32.9 tt0 -124.21 126.91 46.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.585 HG12 ' HB3' ' A' ' 7' ' ' PHE . 64.9 mt -115.21 133.14 62.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.7 124.47 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.882 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.83 108.37 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.054 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 8' ' ' TYR . 91.1 mt -87.73 -20.2 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.246 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 34.05 2.39 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.815 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -144.08 -57.87 0.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.023 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.28 118.43 32.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.009 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.41 -30.77 70.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.186 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.9 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.931 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -75.6 -21.48 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.921 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.04 -34.33 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.078 0.466 . . . . 0.0 109.824 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.24 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.566 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.71 -38.72 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.167 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -64.12 -43.72 94.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.654 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.97 -42.32 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.684 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.08 -28.59 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.463 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.87 53.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.35 20.95 33.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 60.6 t -77.98 111.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.973 0.416 . . . . 0.0 110.098 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.64 -30.22 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.2 m -147.78 166.4 27.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.27 146.78 43.45 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.334 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.36 150.54 51.23 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.292 -1.545 . . . . 0.0 112.932 0.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -135.35 125.95 26.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 tt -102.44 109.33 20.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.5 t -94.85 106.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.5 mt -90.12 99.04 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.637 ' OD1' ' HB2' ' A' ' 3' ' ' SER . 63.8 m-20 65.47 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 111.77 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.86 10.7 4.24 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.65 116.59 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 110.448 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -93.29 117.5 30.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 -176.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 95.5 m-85 -111.59 104.42 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 75.7 m80 -73.5 115.92 13.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.578 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.1 mt -88.84 95.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 66.65 -169.3 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.004 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -130.15 106.69 8.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 110.806 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.16 -67.09 0.83 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.574 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.67 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.57 166.02 41.19 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 17.4 tt -66.31 -31.01 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 117.01 0.405 . . . . 0.0 110.754 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.617 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 1.2 m-20 -75.36 -22.77 57.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -69.92 -27.62 64.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 109.68 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.19 -26.94 32.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.359 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.617 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 88.9 mttt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.95 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.18 161.32 22.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.973 0.416 . . . . 0.0 110.939 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.481 ' HD2' HD12 ' B' ' 6' ' ' ILE . 34.6 ttpt -92.1 133.1 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.774 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -128.29 112.11 14.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.481 HD12 ' HD2' ' B' ' 4' ' ' LYS . 42.7 mm -99.3 122.45 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.95 0.405 . . . . 0.0 110.947 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.15 122.29 42.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.771 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -105.76 132.58 51.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.876 0.369 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.804 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 4.7 p80 -144.05 176.64 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.48 16.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.78 -108.4 0.57 Allowed Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 119.828 -1.177 . . . . 0.0 112.198 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.533 ' HB3' ' HD3' ' B' ' 13' ' ' PRO . 49.9 t -176.08 -55.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.846 -175.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' B' ' 12' ' ' CYS . 75.8 Cg_exo -50.34 -65.02 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 122.5 2.134 . . . . 0.0 113.589 -171.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.71 -24.74 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 110.31 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.883 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 25.3 m -66.93 -46.48 74.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.182 -175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.07 -30.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -61.6 -52.4 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.477 . . . . 0.0 109.905 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.75 70.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -67.7 -41.3 83.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -96.46 -2.82 44.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.21 -61.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.452 HG13 HD12 ' B' ' 68' ' ' ILE . 56.7 t -70.09 -50.34 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.293 . . . . 0.0 111.085 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -6.71 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.073 0.463 . . . . 0.0 111.041 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -95.04 -27.72 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.328 0.585 . . . . 0.0 109.65 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -78.92 -37.64 39.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.564 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.42 121.54 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.9 t70 -73.33 124.64 90.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.794 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 39.5 Cg_exo -61.75 -23.2 75.88 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.312 2.675 . . . . 0.0 113.451 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -85.87 -10.94 54.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.991 0.424 . . . . 0.0 110.193 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.64 -46.43 6.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -127.8 121.0 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.565 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.67 96.06 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.596 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 61.9 t -83.18 118.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.85 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -119.28 124.87 47.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 69.9 mt -94.88 127.62 46.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 -174.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.54 129.06 76.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.518 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -91.04 122.32 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.31 8.33 35.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.97 29.86 6.65 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.033 -174.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -155.18 -67.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.79 0.295 . . . . 0.0 110.739 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.54 122.65 19.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' B' ' 45' ' ' ILE . 54.0 mttp -83.02 -25.6 32.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.81 88.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.135 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -75.73 -23.61 56.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.395 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' B' ' 42' ' ' LYS . 73.0 mt -65.01 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.15 -36.55 82.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.617 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.86 -40.94 92.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -55.81 -44.03 77.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.321 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.66 -46.67 67.28 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 26.2 mttm -84.35 -17.97 37.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.956 -171.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.95 -30.25 24.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.011 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.27 -2.0 11.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.372 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 28.3 t -81.04 105.46 11.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.43 -6.16 19.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 30.2 m -150.37 145.42 26.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.52 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.621 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.5 m -77.04 -172.2 0.29 Allowed Pre-proline 0 C--O 1.238 0.461 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.883 ' HG3' ' HG ' ' B' ' 15' ' ' CYS . 0.6 OUTLIER 14.19 88.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 124.11 3.207 . . . . 0.0 115.241 -137.259 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.94 158.51 44.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.731 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -124.48 121.02 33.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.803 0.335 . . . . 0.0 110.74 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.2 t -94.82 101.22 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.47 ' C ' ' H ' ' B' ' 63' ' ' GLY . 64.3 mt -92.48 109.71 21.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 72.5 -28.54 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.972 0.909 . . . . 0.0 112.084 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 165.17 -23.46 0.15 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.11 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.72 0.295 . . . . 0.0 110.618 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.74 121.17 30.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.59 114.63 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 61.7 m80 -75.82 130.02 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.452 HD12 HG13 ' B' ' 22' ' ' VAL . 64.2 mt -116.07 102.08 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -174.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 60.8 m-20 60.11 98.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.917 0.76 . . . . 0.0 109.455 -170.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.93 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.222 0.951 . . . . 0.0 111.968 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.57 -90.07 0.32 Allowed Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.209 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.52 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -139.65 121.2 15.18 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.474 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.17 158.1 53.51 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.27 -41.35 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.735 0.302 . . . . 0.0 110.622 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -29.32 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.455 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -76.91 -44.5 31.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -31.85 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.686 -177.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -87.95 -179.83 6.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.794 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.738 ' HE2' HG12 ' A' ' 6' ' ' ILE . 85.8 tttt -82.66 134.57 35.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.315 0.579 . . . . 0.0 111.636 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -120.94 110.49 16.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.093 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.738 HG12 ' HE2' ' A' ' 4' ' ' LYS . 1.4 mt -99.39 114.19 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.635 0.255 . . . . 0.0 110.893 -172.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' HB3' HG12 ' A' ' 35' ' ' ILE . 50.0 t80 -100.72 108.61 20.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 0.0 110.599 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -100.4 126.41 46.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.106 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.655 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 p80 -150.94 -177.48 6.03 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.875 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.85 17.4 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 15.0 81.45 Favored Glycine 0 C--O 1.231 -0.08 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.033 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.81 154.69 87.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.64 -34.37 73.35 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.883 2.388 . . . . 0.0 112.126 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.436 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 17.2 m -69.33 -34.59 74.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.396 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.16 -47.68 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.569 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t -59.8 -44.01 94.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.244 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.0 tt0 -67.16 -49.69 63.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -77.44 -9.81 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 -57.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.94 -47.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.743 0.306 . . . . 0.0 110.726 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 19' ' ' GLU . . . -75.54 -3.09 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.649 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -88.97 -34.91 16.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.496 ' HB3' HG22 ' B' ' 26' ' ' ILE . . . -75.35 -33.9 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.509 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.28 94.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.662 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 39.5 m-20 -60.79 138.27 93.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.505 -176.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 23.6 Cg_exo -65.05 -15.73 51.86 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.995 2.463 . . . . 0.0 112.037 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 m -89.22 -19.51 25.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 57.1 tttp -88.35 -42.01 12.48 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 72.8 m-85 -134.06 146.65 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.921 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -82.79 91.49 7.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.076 0.465 . . . . 0.0 110.256 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 42.7 t -83.91 116.0 27.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.387 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG12 ' HB3' ' A' ' 7' ' ' PHE . 63.5 mt -99.13 126.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.664 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.08 130.23 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.298 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -95.04 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.06 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.28 -19.02 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.5 5.23 84.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 m -103.12 -28.67 11.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.681 0.276 . . . . 0.0 111.256 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 27.1 t70 -136.88 148.6 47.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 0.0 111.752 -172.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.6 -39.19 24.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.669 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.65 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.271 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 32.1 mmt180 -58.22 -30.33 66.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.568 178.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.17 -44.01 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.122 0.487 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.26 75.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -73.65 -39.56 64.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.433 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -61.0 -42.32 98.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.484 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.99 -22.78 66.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.311 . . . . 0.0 111.171 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -82.78 -41.17 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.15 86.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.027 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.96 3.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.578 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 51.7 t -87.8 105.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.94 -21.1 15.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m -144.56 167.53 22.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.363 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.37 143.91 46.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.8 0.333 . . . . 0.0 110.726 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -86.35 154.01 50.1 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.24 -1.567 . . . . 0.0 112.929 -1.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -134.32 130.59 37.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.761 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 HG12 ' A' ' 61' ' ' ILE . 1.5 tt -111.61 111.67 22.83 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.2 t -85.26 95.96 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.898 178.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.493 HG12 HD23 ' A' ' 59' ' ' LEU . 57.7 mt -90.55 114.04 27.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 72.02 -14.66 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.702 0.626 . . . . 0.0 111.758 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 142.84 -19.86 2.36 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.153 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.69 132.11 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.607 0.242 . . . . 0.0 110.558 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -87.29 126.66 34.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.002 0.43 . . . . 0.0 111.508 -176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.49 109.69 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.534 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.0 m80 -74.15 121.8 21.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.746 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.17 100.62 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 68.0 108.26 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.799 0.687 . . . . 0.0 110.769 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.26 94.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.7 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.95 -71.21 1.26 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.691 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.3 47.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.586 0.231 . . . . 0.0 110.793 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.61 141.87 16.36 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.483 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.1 tt -69.41 -23.56 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.222 0.535 . . . . 0.0 110.516 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 27.7 t70 -67.85 -26.03 65.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.585 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -78.1 -17.13 57.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.573 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.13 6.55 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.705 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 94.0 mttt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.418 0.151 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' B' ' 32' ' ' THR . 50.5 m 56.42 -157.81 0.26 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -134.23 126.48 29.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.418 0.628 . . . . 0.0 111.205 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.518 ' HB2' HD21 ' B' ' 59' ' ' LEU . . . -118.55 100.62 7.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.152 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 48.2 mt -99.04 119.86 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.463 . . . . 0.0 111.378 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -98.44 120.46 38.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.924 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -105.01 130.87 53.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.457 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.579 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 5.0 p80 -159.56 179.85 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.904 0.383 . . . . 0.0 111.117 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.67 24.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.24 23.0 64.1 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.879 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.52 ' O ' HG22 ' B' ' 16' ' ' VAL . 14.3 m -77.58 147.27 74.76 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.25 -29.46 57.27 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.651 2.234 . . . . 0.0 112.414 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.53 -51.08 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.278 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 6.4 p -75.57 -20.63 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.308 -176.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.596 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 88.5 t -59.87 -53.23 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.0 m -61.06 -35.34 76.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.741 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 30.4 tt0 -68.91 -30.91 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 67.2 mt-30 -83.15 -20.33 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.536 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 -61.51 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.925 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.575 HG13 HD12 ' B' ' 68' ' ' ILE . 40.0 t -66.57 -40.32 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.666 0.27 . . . . 0.0 111.003 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.62 -8.38 55.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.333 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -105.99 -9.09 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.441 173.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.412 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -84.85 -44.93 12.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 25' ' ' ALA . 71.6 mt -78.85 106.89 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.533 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 14.5 t70 -58.85 122.82 64.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -173.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 27.4 Cg_exo -63.03 -17.51 60.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.261 2.641 . . . . 0.0 113.167 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -103.09 -7.22 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.407 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 45.3 tttp -88.72 -37.82 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.369 175.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.51 ' HA ' ' O ' ' B' ' 2' ' ' ALA . 59.3 m-85 -135.72 140.06 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.775 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' B' ' 3' ' ' SER . 54.8 m -70.45 95.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.0 110.353 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -80.4 114.9 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 5.9 tp10 -119.47 124.48 46.6 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.6 124.49 63.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.905 0.383 . . . . 0.0 111.312 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -107.67 123.84 63.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.83 119.99 39.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.007 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.9 mt -71.53 -15.0 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -20.95 76.96 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.659 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -83.05 -59.69 2.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.557 ' HB2' ' HG2' ' B' ' 44' ' ' ARG . 56.6 m-20 -124.22 117.63 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.061 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.85 -16.06 62.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.212 0.53 . . . . 0.0 109.96 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.93 65.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.557 ' HG2' ' HB2' ' B' ' 41' ' ' ASP . 42.8 mmt180 -70.81 -13.59 62.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.297 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 73.0 mt -61.01 -51.25 75.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 110.817 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.02 74.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.148 0.499 . . . . 0.0 110.785 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.536 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 48.1 mt-10 -67.15 -42.12 84.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.374 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.25 86.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.672 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 38.7 mt-10 -62.89 -35.98 81.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.643 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -67.64 -30.83 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.097 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 -6.15 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 111.36 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.72 17.89 43.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.116 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 93.6 t -85.92 118.84 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.427 ' O ' HG22 ' B' ' 74' ' ' ILE . 97.2 mttt -101.63 -18.84 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.7 m -144.69 146.16 32.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.608 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.12 -171.49 0.22 Allowed Pre-proline 0 C--O 1.237 0.416 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.608 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.2 Cg_exo 14.53 88.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.33 0 C-N-CA 124.289 3.326 . . . . 0.0 115.561 -136.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.56 155.48 39.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.802 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 5' ' ' ALA . 6.4 tt -127.16 128.7 46.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.028 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -103.87 113.11 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -90.75 105.98 16.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 62.29 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.832 0.707 . . . . 0.0 111.21 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.71 10.05 4.28 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.113 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.64 119.08 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.768 0.318 . . . . 0.0 110.406 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.09 117.35 29.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -114.75 107.19 15.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.566 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.463 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 63.7 m80 -72.37 116.66 13.07 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.575 HD12 HG13 ' B' ' 22' ' ' VAL . 61.9 mt -100.36 99.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -172.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.31 100.27 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.982 0.802 . . . . 0.0 109.333 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -39.64 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 124.337 1.023 . . . . 0.0 111.892 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.02 -94.79 0.25 Allowed Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.739 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.68 150.25 44.66 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.398 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.422 ' HA3' ' OD1' ' B' ' 76' ' ' ASP . . . -63.85 127.62 36.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.599 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.427 HG22 ' O ' ' B' ' 54' ' ' LYS . 13.4 tt -73.14 -27.18 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.102 0.477 . . . . 0.0 110.511 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 18.0 t70 -80.19 -22.34 42.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.505 0.669 . . . . 0.0 109.463 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.422 ' OD1' ' HA3' ' B' ' 73' ' ' GLY . 4.5 m-20 -72.42 -30.17 64.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.346 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.85 -16.01 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 94.3 mttt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.662 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.291 0.567 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.418 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 68.9 m -84.99 177.65 7.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.681 -174.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -104.83 128.0 52.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.458 ' HB3' HD22 ' A' ' 59' ' ' LEU . . . -119.62 117.61 28.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.225 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.91 114.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.097 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -100.33 106.48 18.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.665 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -92.78 129.74 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.705 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 27.4 p80 -155.42 173.28 16.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.865 173.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.22 -8.21 13.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.9 -7.25 57.23 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.635 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -65.45 159.3 68.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.143 0.471 . . . . 0.0 110.568 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.99 -41.02 26.21 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.364 2.709 . . . . 0.0 113.422 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.65 -38.44 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 110.779 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 67.2 m -71.65 -39.81 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.71 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.939 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 110.82 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.93 77.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.51 -46.8 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.838 -176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.63 -69.49 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.828 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.83 -48.82 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.497 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.14 -3.44 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 111.581 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -103.4 -27.54 12.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 0.0 109.774 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.13 55.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -73.19 131.73 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.33 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 12.5 t70 -66.37 123.63 85.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.507 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.15 -25.81 81.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.176 2.584 . . . . 0.0 113.516 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.4 m -93.72 -16.23 24.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 110.619 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.662 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 88.2 tttt -85.34 -33.67 22.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.999 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 3' ' ' SER . 24.0 m-85 -137.1 125.25 23.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.45 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -74.83 93.52 2.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -92.72 108.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -175.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -106.25 127.88 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.9 mt -96.62 134.37 34.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.0 t -118.52 115.06 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.987 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -92.18 106.29 18.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.821 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.56 -16.02 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.396 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.73 -12.21 83.07 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.546 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.0 m -83.29 -44.94 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' HG3' ' A' ' 44' ' ' ARG . 16.6 t0 -139.18 132.04 29.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -77.19 -23.93 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.327 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.46 64.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.908 0.385 . . . . 0.0 110.691 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 9.8 mtp180 -75.05 -17.71 60.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.552 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.2 -38.16 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.122 0.487 . . . . 0.0 109.926 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -63.56 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.131 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.625 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 45.4 mt-10 -62.04 -33.05 73.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.717 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -62.96 -46.62 86.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' A' ' 78' ' ' LYS . 50.4 mt-10 -63.32 -34.02 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.953 177.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 65.1 mttm -64.97 -39.44 93.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.544 178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.09 -19.82 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.284 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.43 24.05 8.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.544 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 91.3 t -85.32 114.55 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -98.2 -22.19 16.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.238 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -146.28 163.02 36.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.28 144.61 36.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.681 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 93.2 Cg_endo -85.91 156.66 57.03 Favored 'Cis proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.195 -1.585 . . . . 0.0 112.991 -0.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -137.5 131.0 31.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 5' ' ' ALA . 2.3 tt -103.51 107.5 18.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -89.91 107.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.213 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -103.75 107.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.27 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.14 29.41 16.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.693 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.62 -19.01 37.05 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.67 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.67 111.72 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.456 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.39 107.43 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.056 0.455 . . . . 0.0 111.033 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.98 102.3 14.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.083 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.527 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -69.57 129.04 38.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.659 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' B' ' 66' ' ' PHE . 53.2 mt -108.6 97.09 5.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 69.12 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.877 0.736 . . . . 0.0 111.016 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -68.65 95.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.34 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.45 -65.07 1.11 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.648 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.53 137.76 35.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.549 0.214 . . . . 0.0 110.673 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.43 149.41 30.45 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.449 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.43 -28.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.28 0.562 . . . . 0.0 110.391 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.28 -33.28 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.949 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.57 -17.98 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.804 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.88 -23.17 42.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HZ3' ' CD ' ' A' ' 49' ' ' GLU . 93.8 mttt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.95 168.15 11.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -96.86 131.56 43.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.221 0.534 . . . . 0.0 111.583 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.541 ' HB3' HG22 ' B' ' 33' ' ' VAL . . . -124.8 136.23 53.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.507 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.31 125.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 110.558 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.569 ' HD2' HG22 ' B' ' 35' ' ' ILE . 77.3 t80 -100.71 117.07 34.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.034 177.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.72 129.22 44.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.816 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.4 p80 -136.72 173.12 12.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.77 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.7 18.55 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.69 64.52 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.09 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.467 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 47.5 m -135.54 161.97 59.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 12.6 Cg_endo -57.04 -33.35 95.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.649 2.233 . . . . 0.0 112.152 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.41 -37.68 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.895 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 24.7 m -62.97 -50.38 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.644 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.55 -46.07 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -61.81 -48.53 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.935 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.8 78.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.426 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 37.7 tt0 -67.6 -53.71 25.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -77.9 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.82 -63.37 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 111.543 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.29 -46.61 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.578 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.23 -32.23 72.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.685 0.279 . . . . 0.0 110.996 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.29 -24.85 54.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.58 88.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.7 mt -78.64 114.45 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.59 ' HB2' ' HB2' ' B' ' 30' ' ' LYS . 36.5 m-20 -62.91 128.82 92.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.891 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 24.3 Cg_exo -64.37 -19.17 65.23 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.817 2.345 . . . . 0.0 111.701 177.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.53 0.57 57.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.811 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.59 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 42.1 tttp -107.56 -48.3 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.46 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.79 157.26 44.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.902 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -96.6 99.67 11.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' B' ' 5' ' ' ALA . 48.6 t -104.83 125.7 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -117.83 144.31 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.918 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.569 HG22 ' HD2' ' B' ' 7' ' ' PHE . 61.4 mt -115.11 127.15 72.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.49 130.58 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.285 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -80.81 123.05 27.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.86 7.91 11.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.257 0.551 . . . . 0.0 110.651 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.93 29.96 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.732 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -155.23 -45.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' B' ' 44' ' ' ARG . 13.9 t70 -85.78 113.27 21.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.967 0.413 . . . . 0.0 110.564 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.7 6.31 42.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.765 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.87 -42.42 10.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 0.0 110.236 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' B' ' 41' ' ' ASP . 66.4 mtp180 -75.58 -3.93 37.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.016 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.34 -30.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.8 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.742 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' B' ' 53' ' ' VAL . . . -61.18 -47.52 85.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.206 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.18 -40.13 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.637 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -60.85 -37.45 82.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.294 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.19 -44.63 14.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.447 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.28 29.92 0.82 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.181 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' B' ' 48' ' ' ALA . 13.3 t -95.32 135.17 30.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -122.32 -18.06 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.839 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 27.7 m -136.88 144.82 43.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.522 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.612 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 4.3 m -88.63 -163.02 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.003 -0.522 . . . . 0.0 109.697 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.895 ' HG3' ' HG ' ' B' ' 15' ' ' CYS . 8.6 Cg_exo 11.41 85.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.345 2.697 . . . . 0.0 114.313 -137.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.58 155.95 40.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.018 -177.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.9 tp -111.31 111.94 23.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.009 0.433 . . . . 0.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -97.95 102.97 14.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -96.66 111.95 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 -177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t70 65.03 8.41 4.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.702 175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.56 -14.51 10.75 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.4 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.01 23.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.32 108.05 15.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.381 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.455 ' HB3' HG21 ' A' ' 68' ' ' ILE . 80.5 m-85 -100.56 97.87 8.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 109.882 176.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.641 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 53.2 m80 -71.21 125.53 27.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.112 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.43 112.15 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.747 0.308 . . . . 0.0 111.155 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 94.1 m-20 61.87 -89.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.444 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 179.77 91.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.864 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.58 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -80.37 -91.23 0.48 Allowed Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.528 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.85 -174.93 4.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.839 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -137.65 177.47 19.87 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.942 -1.123 . . . . 0.0 112.421 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.52 -32.47 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.4 -39.24 60.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.128 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.92 -49.82 16.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 0.0 110.713 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.14 -35.12 71.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.932 -173.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 tttm . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 -178.037 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -89.48 -91.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -175.42 141.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.816 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -132.53 107.72 8.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.694 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 26.3 mt -95.48 137.01 24.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -122.38 97.26 5.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.808 0.337 . . . . 0.0 110.743 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.63 125.76 33.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.742 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 15.4 p80 -143.9 -179.2 6.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.476 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 56' ' ' VAL . . . -122.43 10.88 9.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.89 65.68 2.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.679 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.8 p -139.48 163.9 42.17 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 4.9 Cg_endo -48.01 -41.16 33.47 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.131 2.554 . . . . 0.0 112.925 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.39 -36.46 69.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.841 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.742 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 60.8 m -69.12 -38.86 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -65.8 -39.0 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -58.45 -49.4 77.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 29.6 tt0 -66.56 -49.52 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.039 179.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -84.44 -4.11 58.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.69 -68.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.823 0.344 . . . . 0.0 111.346 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.4 -52.22 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.19 -0.49 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.19 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -93.36 -32.95 14.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.353 0.597 . . . . 0.0 109.539 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.06 56.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.471 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.2 mt -71.91 95.35 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.529 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.686 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 14.7 t70 -63.85 132.45 95.24 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.907 -176.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.28 -9.36 25.63 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.09 2.527 . . . . 0.0 113.347 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 t -104.15 -5.31 22.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.189 0.519 . . . . 0.0 109.663 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 49.6 tttp -93.26 -41.87 9.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.311 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.06 142.75 30.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.852 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -68.55 99.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.577 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.5 t -80.73 117.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.39 96.5 5.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -84.89 127.28 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.986 0.422 . . . . 0.0 110.796 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.19 117.4 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 63.8 t-80 -84.01 83.03 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.45 -12.17 60.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.49 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.68 95.48 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.018 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 t -109.77 -16.21 13.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.805 0.336 . . . . 0.0 110.699 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 37' ' ' HIS . 0.8 OUTLIER -85.4 43.75 1.04 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 109.561 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.07 -26.45 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.706 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -19.46 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.0 111.407 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' HD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 ttp180 -100.68 15.3 28.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.447 0.641 . . . . 0.0 110.445 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.516 HG13 HD13 ' A' ' 74' ' ' ILE . 17.0 tt -58.23 -28.9 36.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.452 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.0 74.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.206 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.463 ' OE1' ' HD2' ' A' ' 44' ' ' ARG . 34.1 tt0 -75.58 -36.89 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.007 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -58.55 -40.09 82.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.555 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.85 -37.37 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.166 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.94 -24.35 24.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.288 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.19 -31.63 43.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 28.95 5.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.087 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 59.0 t -87.59 103.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.921 0.391 . . . . 0.0 110.25 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.97 -19.69 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.641 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -149.74 166.51 29.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' HB1' ' A' ' 10' ' ' ALA . 21.5 m -128.74 147.24 63.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.345 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.557 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.1 Cg_endo -77.9 154.0 93.81 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.049 -1.646 . . . . 0.0 112.981 -0.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.62 129.71 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.828 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 tp -101.57 107.17 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.193 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 46.1 t -98.7 99.03 7.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.196 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' C ' ' H ' ' A' ' 63' ' ' GLY . 63.8 mt -94.42 113.99 30.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.416 -178.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.77 -27.53 0.16 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.861 0.864 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 156.76 -14.96 0.35 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.291 -0.481 . . . . 0.0 112.188 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.97 133.75 34.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.582 0.229 . . . . 0.0 110.405 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.32 115.47 27.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 0.0 111.963 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -115.02 105.18 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.584 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.4 m80 -71.94 145.56 48.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.404 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.557 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 48.8 mm -109.21 102.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 63.17 -163.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 110.043 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -135.52 94.04 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.044 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.42 -62.11 1.35 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.174 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 144.12 38.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.64 146.91 18.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.383 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.516 HD13 HG13 ' A' ' 45' ' ' ILE . 14.0 tt -65.49 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.209 0.528 . . . . 0.0 110.032 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.93 -33.74 72.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.192 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.36 -33.56 73.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.79 -22.78 56.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 99.4 mttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.33 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -62.84 155.71 26.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.523 ' HE3' HD13 ' B' ' 6' ' ' ILE . 38.8 ttpt -75.18 117.32 16.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.41 . . . . 0.0 111.027 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.457 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -108.32 106.98 17.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.6 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.523 HD13 ' HE3' ' B' ' 4' ' ' LYS . 42.1 mt -95.87 115.72 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.175 0.512 . . . . 0.0 110.791 -174.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.537 ' HE1' HD13 ' B' ' 68' ' ' ILE . 49.8 t80 -94.69 103.73 15.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.951 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -96.89 113.21 24.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.462 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.453 ' ND1' ' HB3' ' B' ' 15' ' ' CYS . 5.7 p80 -133.78 153.69 51.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.497 ' H ' ' HD3' ' B' ' 57' ' ' PRO . . . -161.35 77.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.364 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' B' ' 12' ' ' CYS . . . -172.54 -105.72 0.19 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.548 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 8.8 m -172.41 -64.41 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 123.039 0.536 . . . . 0.0 111.513 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 23.9 Cg_exo -61.93 -62.84 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.134 1.889 . . . . 0.0 113.22 -169.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -24.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.441 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.507 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 35.1 m -66.93 -51.82 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.678 -173.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 66.1 t -59.34 -52.0 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.089 -177.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -64.96 -37.39 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.884 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.565 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -69.57 -40.34 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.544 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 92.9 mt-30 -76.61 -12.69 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 -67.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.708 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.36 -45.75 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.65 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -96.7 -31.94 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.76 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.37 86.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.553 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 1.6 p30 -97.04 163.66 19.53 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.058 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 9.4 Cg_endo -53.25 -14.23 4.03 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.724 2.95 . . . . 0.0 115.197 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 -4.8 56.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.315 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.686 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 74.9 mmtt -114.02 -50.56 2.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 177.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 79.5 m-85 -139.82 169.46 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.763 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.8 m -89.18 98.61 11.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.62 116.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.343 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 6.5 mm-40 -115.62 98.09 6.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' B' ' 7' ' ' PHE . 70.0 mt -89.36 121.08 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.414 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.19 120.49 58.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.352 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -81.13 117.54 21.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' B' ' 10' ' ' ALA . 36.3 tp -85.57 -13.0 50.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.908 -174.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.58 53.14 2.37 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.911 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -149.87 -53.98 0.16 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.036 0.446 . . . . 0.0 110.114 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.69 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 tttp -75.69 -17.78 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.48 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.5 -17.63 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.43 -19.3 65.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.03 -33.18 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.959 -173.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.88 84.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.198 0.523 . . . . 0.0 110.948 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.63 -30.72 57.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.998 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.41 99.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.471 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.0 -39.75 90.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.36 -43.88 84.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.712 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.269 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.54 18.83 10.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.314 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.32 88.87 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.949 0.404 . . . . 0.0 109.919 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.21 -31.62 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.588 0.709 . . . . 0.0 109.873 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.548 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 16.6 m -122.72 138.88 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.062 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.709 ' HB ' ' HB2' ' B' ' 72' ' ' ALA . 1.3 t -80.21 -156.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.62 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 7.9 Cg_exo 1.94 89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.973 2.448 . . . . 0.0 115.031 -139.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -144.11 159.97 41.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' B' ' 5' ' ' ALA . 1.6 tt -117.16 114.55 23.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 0.0 110.153 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 37.2 t -93.18 99.51 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.421 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.404 ' C ' ' H ' ' B' ' 63' ' ' GLY . 60.7 mt -90.46 104.59 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.6 -177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 69.42 -7.95 0.79 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.552 0.741 . . . . 0.0 111.965 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 143.05 -23.96 2.25 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.94 112.06 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 110.336 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -84.03 109.47 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.309 -178.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.93 112.49 24.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.794 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -73.58 129.67 38.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.542 -177.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.537 HD13 ' HE1' ' B' ' 7' ' ' PHE . 58.4 mt -99.44 98.87 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 62.77 -169.82 0.18 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.147 -170.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -90.63 85.73 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 -81.86 0.12 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.887 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.709 ' HB2' ' HB ' ' B' ' 56' ' ' VAL . . . -139.46 175.74 9.31 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.624 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.78 127.57 8.49 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.232 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.6 tt -68.65 -31.86 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.386 0.593 . . . . 0.0 110.545 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.556 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 8.1 t70 -75.92 -23.45 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.51 . . . . 0.0 109.727 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.41 -35.13 77.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.613 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.08 6.38 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.735 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 99.7 mttt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.817 0.342 . . . . 0.0 110.334 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.721 0.296 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 32' ' ' THR . 3.0 p -99.66 163.42 12.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.369 . . . . 0.0 111.717 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HG3' ' OE2' ' A' ' 34' ' ' GLU . 23.2 ttmm -96.15 131.01 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.74 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.63 100.57 4.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.91 HG13 ' HB ' ' A' ' 60' ' ' VAL . 3.6 pt -95.47 125.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.231 0.539 . . . . 0.0 111.312 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.427 ' HE1' HD13 ' A' ' 68' ' ' ILE . 76.2 t80 -109.86 110.43 21.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.397 -175.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.462 ' HE1' HD12 ' A' ' 6' ' ' ILE . 61.0 m-85 -100.91 140.08 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.648 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.449 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 23.6 p80 -162.07 179.23 8.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.707 0.289 . . . . 0.0 110.827 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.81 17.57 11.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.84 55.03 4.64 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.307 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.46 154.9 39.59 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -52.95 -40.07 77.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.8 t -61.56 -34.03 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HG ' ' HB3' ' A' ' 57' ' ' PRO . 21.2 m -65.4 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.557 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.52 -44.86 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 m -65.05 -40.24 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.35 77.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.03 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.56 -47.28 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.061 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -79.35 -15.17 58.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.694 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 -68.8 0.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.06 -53.11 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.708 0.289 . . . . 0.0 111.403 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB1' HG12 ' A' ' 33' ' ' VAL . . . -75.81 3.52 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.061 0.457 . . . . 0.0 111.489 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -110.62 -26.52 9.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.964 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.92 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.586 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.87 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.762 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 10.7 t70 -92.27 132.84 31.16 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 52.9 Cg_exo -55.47 -29.85 70.91 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.128 2.552 . . . . 0.0 113.264 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -67.49 -29.86 69.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -79.58 -73.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.313 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 67.5 m-85 -121.95 139.42 53.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.199 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 3' ' ' SER . 6.5 t -92.3 114.74 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.07 0.462 . . . . 0.0 109.812 175.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' HB1' ' A' ' 23' ' ' ALA . 46.2 t -80.83 105.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 38.8 mt-10 -103.31 102.64 12.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.043 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.71 128.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.58 120.2 57.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -85.68 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.844 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -81.52 -6.22 58.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.84 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.48 40.6 2.7 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.617 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.4 -60.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.366 . . . . 0.0 111.195 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -120.18 135.11 55.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 -173.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.33 -27.97 52.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.027 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.95 -36.0 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.908 0.385 . . . . 0.0 110.417 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -72.75 -11.24 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.402 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 71.1 mt -66.22 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 171.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.24 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.18 -43.37 98.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.801 175.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.64 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.728 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 40.2 mt-10 -63.22 -37.94 89.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.7 -39.26 87.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -35.35 80.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.892 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.45 7.79 11.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.286 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.53 123.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.431 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -122.46 -12.76 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.68 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.588 ' HG ' ' CD2' ' A' ' 67' ' ' HIS . 4.8 p -156.52 169.61 24.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.983 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.55 144.09 45.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.671 0.272 . . . . 0.0 110.668 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HB3' ' HG ' ' A' ' 15' ' ' CYS . 77.8 Cg_endo -83.97 154.21 67.54 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.013 -1.661 . . . . 0.0 112.915 -1.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -130.4 130.55 44.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.376 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.4 tp -105.3 104.61 14.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.853 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.91 ' HB ' HG13 ' A' ' 6' ' ' ILE . 44.1 t -92.17 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.211 0.529 . . . . 0.0 110.223 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' GLY . 73.9 mt -93.32 114.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.283 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 70.92 -45.01 0.6 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.879 0.737 . . . . 0.0 112.203 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 178.09 -23.08 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.267 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.57 139.21 30.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.58 0.229 . . . . 0.0 110.421 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.63 116.91 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.55 105.1 13.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.839 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.588 ' CD2' ' HG ' ' A' ' 55' ' ' SER . 62.6 m80 -72.49 143.78 48.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 ' HB3' ' B' ' 66' ' ' PHE . 58.3 mt -117.74 95.25 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.579 0.228 . . . . 0.0 110.448 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.97 103.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.18 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -63.31 108.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.976 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.37 -55.7 0.8 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.419 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.31 165.16 27.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -103.85 166.28 15.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.752 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.7 tt -67.61 -27.57 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 0.0 110.013 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 5.9 m-20 -64.45 -26.17 68.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.23 -36.58 84.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.559 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.61 -22.5 18.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.275 0.56 . . . . 0.0 110.518 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 50.8 tttm . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.731 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -100.65 179.92 4.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.05 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' B' ' 6' ' ' ILE . 22.4 ttmm -112.3 133.32 54.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.321 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.12 100.47 4.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.145 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.51 HD11 ' HD3' ' B' ' 4' ' ' LYS . 43.7 mt -95.46 136.42 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.566 -175.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' B' ' 68' ' ' ILE . 68.7 t80 -118.52 116.78 27.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -105.75 130.04 53.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.679 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 14.6 p80 -155.7 164.04 39.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.734 175.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.28 13.05 10.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.846 0.355 . . . . 0.0 111.138 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.64 98.37 1.41 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.734 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 p -171.0 155.94 4.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.46 -27.76 41.54 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.093 2.529 . . . . 0.0 113.035 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.61 -50.98 75.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.658 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 18.5 p -77.1 -24.57 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.416 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.54 -54.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.6 m -66.99 -35.1 79.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.9 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.0 tt0 -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.456 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.56 -39.84 95.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.594 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.09 -63.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.02 -43.68 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.754 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 19' ' ' GLU . . . -72.47 -10.13 59.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.453 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -105.77 -7.16 18.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.462 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -81.78 -38.08 26.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -83.65 134.41 27.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.6 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.92 126.07 66.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.668 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 25.1 Cg_endo -61.92 -17.78 57.51 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.459 2.772 . . . . 0.0 113.532 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -67.5 -25.75 66.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 0.0 110.135 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 2' ' ' ALA . 45.7 mtmt -107.29 -34.02 7.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 51.4 m-85 -130.69 127.55 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.3 -0.25 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -86.75 121.68 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.64 104.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.544 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.15 94.48 6.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.005 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' B' ' 7' ' ' PHE . 71.8 mt -85.87 121.03 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.44 124.2 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -89.71 108.49 19.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.551 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.429 HD13 HG12 ' B' ' 56' ' ' VAL . 93.6 mt -80.12 -6.28 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.345 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.42 -34.9 15.45 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 95.1 m -74.08 -44.2 54.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.478 . . . . 0.0 110.412 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -125.16 104.15 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.64 4.71 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 109.612 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -65.07 -19.74 66.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.8 -36.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.336 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.621 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -63.28 -37.43 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.411 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.42 -46.18 87.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.108 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.522 ' HB3' ' HB ' ' B' ' 53' ' ' VAL . . . -61.67 -37.58 84.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.652 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.89 -37.72 88.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.057 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 83.4 mttt -59.54 -53.02 62.95 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 110.487 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.84 89.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.25 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.71 34.41 0.86 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.462 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' B' ' 48' ' ' ALA . 58.1 t -79.33 115.88 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.8 -31.37 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.446 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.5 m -146.56 150.88 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.855 0.36 . . . . 0.0 111.444 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.622 HG21 ' HD2' ' B' ' 57' ' ' PRO . 12.0 m -79.96 -162.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.518 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.271 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.679 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 11.14 86.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 123.68 2.92 . . . . 0.0 114.88 -136.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.2 154.77 42.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 113.782 -1.554 . . . . 0.0 109.608 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' B' ' 68' ' ' ILE . 56.4 tp -113.6 121.53 44.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 0.0 110.618 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.432 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 47.2 t -98.96 103.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.034 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -92.74 107.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 66.15 -65.99 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.187 0.929 . . . . 0.0 112.036 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.08 11.31 0.49 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.302 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.1 55.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.777 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.64 119.77 32.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.05 0.452 . . . . 0.0 111.324 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.471 ' HB3' HG22 ' A' ' 68' ' ' ILE . 93.9 m-85 -116.6 103.66 10.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.009 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.442 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 74.6 m80 -68.06 123.41 20.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.173 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.564 HD11 ' HE1' ' B' ' 7' ' ' PHE . 54.9 mt -92.4 101.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 61.43 -160.48 0.3 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -170.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.0 98.67 8.34 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -94.65 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.167 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.92 128.9 23.51 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.244 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.6 137.4 46.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.475 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 tt -67.83 -25.51 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 117.261 0.531 . . . . 0.0 110.197 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -36.51 71.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.276 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.39 -27.61 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.744 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.37 -58.37 2.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.192 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.393 -174.313 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -66.83 145.38 55.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.291 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' THR . 21.7 pttp -86.39 120.24 27.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.53 0.681 . . . . 0.0 111.111 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.41 ' HB2' HD21 ' A' ' 59' ' ' LEU . . . -85.7 114.62 22.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.38 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 6.3 mt -95.2 118.21 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.931 0.396 . . . . 0.0 110.889 -173.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.32 102.56 14.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.739 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -92.26 124.47 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p80 -149.02 170.8 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 175.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.33 18.7 9.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.648 0.261 . . . . 0.0 111.567 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.62 61.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 41.2 t -74.82 143.07 77.61 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 9.4 Cg_endo -51.56 -26.26 21.82 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.907 2.404 . . . . 0.0 112.77 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.39 -38.99 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.526 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 30.3 p -75.78 -19.31 59.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.507 -172.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.47 -45.02 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 110.129 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -65.42 -44.79 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.64 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.321 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.12 -53.16 49.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.79 1.13 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.47 -67.76 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.3 -51.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.115 -175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.76 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -87.11 -35.96 18.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -35.1 77.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.706 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -81.43 92.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.9 OUTLIER -86.16 165.03 36.13 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.697 -178.359 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 27' ' ' ASP . 11.5 Cg_endo -55.97 -21.98 36.48 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.104 2.536 . . . . 0.0 114.22 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.5 t -80.84 -14.99 57.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.193 0.521 . . . . 0.0 110.139 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE2' ' HA ' ' B' ' 25' ' ' ALA . 50.2 tptt -92.29 -59.35 2.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -149.1 164.42 34.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.623 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 28.7 m -78.27 121.3 24.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.11 125.89 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.826 0.346 . . . . 0.0 111.131 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 39.9 tt0 -132.5 114.34 14.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.48 130.63 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.653 0.263 . . . . 0.0 110.622 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.65 128.81 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -93.03 116.59 29.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.634 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.96 -4.82 39.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.538 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.32 38.96 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.92 -173.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -157.89 -64.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.912 0.387 . . . . 0.0 110.478 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -86.43 112.52 21.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.138 0.494 . . . . 0.0 110.718 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 45' ' ' ILE . 48.6 mttp -74.91 -22.21 58.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.685 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.75 66.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.226 0.536 . . . . 0.0 110.772 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -84.04 -22.4 31.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.052 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 42' ' ' LYS . 1.8 mp -64.62 -43.11 96.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.113 177.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.199 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -83.63 -36.87 23.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.667 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.01 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.67 -30.36 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.35 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -40.97 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.8 -11.48 60.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.89 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.86 7.54 29.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.553 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -80.51 105.3 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.375 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.67 -18.86 13.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.376 0.608 . . . . 0.0 110.251 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -144.92 167.86 21.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.807 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.35 144.17 48.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.771 0.32 . . . . 0.0 110.36 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.567 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 91.5 Cg_endo -82.3 148.1 67.33 Favored 'Cis proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.968 -1.68 . . . . 0.0 113.126 0.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.57 122.4 34.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.153 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 5' ' ' ALA . 2.2 tt -105.83 110.96 23.43 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.6 t -83.27 103.16 10.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.238 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.18 104.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.516 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.45 40.13 27.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.047 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.08 -23.29 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.02 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.82 116.89 29.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 110.777 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.61 119.37 23.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 0.0 111.58 -178.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -117.72 114.2 22.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.525 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.9 m80 -76.45 138.33 40.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.508 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' B' ' 66' ' ' PHE . 43.3 mm -116.59 96.74 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.541 -177.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 66.46 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.231 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.91 106.14 1.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.038 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.82 -49.29 0.85 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.75 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.38 158.43 44.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.567 0.222 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.7 145.32 15.94 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 45' ' ' ILE . 12.4 tt -74.07 -22.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.257 0.551 . . . . 0.0 110.3 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 23.4 t70 -76.08 -27.73 57.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.202 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.436 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.38 10.9 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.357 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.591 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 93.0 mttt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' B' ' 31' ' ' TYR . 3.7 m -68.45 174.44 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.026 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.489 ' HE3' HD12 ' B' ' 6' ' ' ILE . 58.6 pttt -125.95 157.52 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.38 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.511 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -116.45 114.4 24.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.813 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.489 HD12 ' HE3' ' B' ' 4' ' ' LYS . 17.1 mt -96.61 110.47 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.459 ' HD1' ' HB2' ' B' ' 59' ' ' LEU . 79.3 t80 -96.49 113.87 25.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.826 0.345 . . . . 0.0 110.212 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.127 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.685 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -145.21 -178.84 6.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.864 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.36 21.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.25 77.82 1.25 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.059 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 45.5 m -138.47 149.87 64.35 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.47 -37.81 89.79 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.801 2.334 . . . . 0.0 111.792 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.22 -39.12 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.781 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.685 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 27.3 m -65.58 -36.73 84.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.07 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 47.3 t -63.33 -55.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.309 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -37.43 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.213 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.52 87.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 111.012 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' HB1' ' B' ' 23' ' ' ALA . 43.1 tt0 -69.22 -34.27 74.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.735 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 68.9 mt-30 -92.27 -2.31 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.632 -176.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.55 -67.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.506 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.64 -48.31 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' B' ' 19' ' ' GLU . . . -78.78 7.58 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.876 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -108.2 -32.95 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.583 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -66.74 -37.0 83.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.651 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.0 mt -93.38 86.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.526 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 3.3 p30 -83.82 157.49 63.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.491 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 27.9 Cg_endo -62.23 -5.9 7.35 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.36 2.707 . . . . 0.0 114.138 -174.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -84.1 -14.97 49.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.446 0.641 . . . . 0.0 109.524 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -103.36 -58.43 1.88 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.584 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 95.8 m-85 -140.49 155.96 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.788 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.6 p -90.6 129.51 36.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.805 0.335 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.77 126.68 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.787 0.327 . . . . 0.0 110.976 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -119.91 120.35 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.83 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' B' ' 7' ' ' PHE . 34.8 mm -96.16 125.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.152 -178.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.86 125.31 70.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 111.254 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -92.89 107.66 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.621 HD11 HG13 ' B' ' 56' ' ' VAL . 55.5 mt -72.66 -15.73 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.621 -175.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.48 7.22 61.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.785 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -107.96 -19.82 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 111.222 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -147.48 129.61 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.063 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' B' ' 45' ' ' ILE . 60.8 mttp -82.01 -31.83 30.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.328 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 110.904 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.985 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 42' ' ' LYS . 80.5 mt -63.22 -50.68 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.0 -34.4 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.411 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.45 -38.47 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -63.48 -40.89 98.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.96 -30.65 71.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 95.7 mttt -63.03 -45.15 93.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.066 0.46 . . . . 0.0 110.225 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.19 -20.89 60.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.731 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 10.05 12.87 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 47.0 t -84.0 111.37 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -110.33 -3.2 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.318 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 47.8 m -144.21 149.32 36.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.867 0.365 . . . . 0.0 111.385 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.621 HG13 HD11 ' B' ' 38' ' ' LEU . 8.4 m -85.3 -168.55 0.19 Allowed Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.654 ' HG3' ' SG ' ' B' ' 15' ' ' CYS . 6.3 Cg_exo 12.4 85.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 123.375 2.717 . . . . 0.0 114.577 -135.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -147.39 157.29 43.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.795 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.511 HD21 ' HB1' ' B' ' 5' ' ' ALA . 10.1 tt -133.9 129.51 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.059 0.457 . . . . 0.0 110.614 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 5' ' ' ALA . 63.4 t -101.24 113.63 37.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.788 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -90.94 111.97 24.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.84 -69.18 0.17 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.856 0.722 . . . . 0.0 110.93 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.95 16.05 0.24 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.928 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.99 125.58 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 110.246 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.21 120.29 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.591 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.423 ' HB3' HG21 ' A' ' 68' ' ' ILE . 80.4 m-85 -119.84 103.31 9.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.014 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.9 m80 -71.31 125.4 26.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.851 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.5 107.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.462 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.4 m-20 62.99 -161.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.206 -173.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -109.2 94.2 4.91 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.4 -97.03 0.2 Allowed Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.567 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -139.82 164.28 30.37 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.202 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' B' ' 76' ' ' ASP . . . -75.27 151.74 42.4 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.804 -1.188 . . . . 0.0 110.386 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.2 tt -70.08 -19.3 22.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 117.58 0.69 . . . . 0.0 109.917 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.22 -14.47 58.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' B' ' 73' ' ' GLY . 2.4 m-20 -64.04 -33.94 76.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.144 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.421 HD11 HG11 ' B' ' 56' ' ' VAL . 69.2 mt -70.59 -27.59 64.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.545 -177.353 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.51 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 23.2 t -79.28 148.65 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.448 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.513 ' HE3' HD13 ' A' ' 6' ' ' ILE . 62.8 tttp -76.01 114.24 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.608 -178.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.71 107.23 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.866 0.365 . . . . 0.0 110.765 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.513 HD13 ' HE3' ' A' ' 4' ' ' LYS . 51.3 mt -95.1 125.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 110.698 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -99.9 100.52 11.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 57' ' ' PRO . 72.9 m-85 -88.9 128.41 35.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.842 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 p80 -148.51 156.84 42.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . . . -142.07 13.29 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.87 -109.87 1.46 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.004 -1.093 . . . . 0.0 111.499 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.503 ' O ' HG21 ' A' ' 16' ' ' VAL . 44.4 t -174.46 -64.11 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.057 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 10.2 Cg_endo -50.27 -72.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.677 2.251 . . . . 0.0 113.604 -171.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.99 -22.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.317 0.58 . . . . 0.0 110.997 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 56.2 m -69.97 -47.23 63.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.898 -177.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 12' ' ' CYS . 90.6 t -66.07 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.627 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 m -56.3 -45.56 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.0 110.27 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.55 58.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 25.9 tt0 -64.67 -43.79 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.015 0.436 . . . . 0.0 110.83 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.05 -30.31 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.787 -177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 -66.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.49 -47.29 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.663 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.32 -16.11 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -102.2 -14.9 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.685 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.09 -31.55 56.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.197 0.523 . . . . 0.0 109.833 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -87.68 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.472 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -86.09 130.77 48.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.02 -12.67 36.39 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.062 2.508 . . . . 0.0 113.413 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -101.31 -1.2 34.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.405 0.621 . . . . 0.0 110.147 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 51.3 tttp -100.24 -42.55 6.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.601 174.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 54.4 m-85 -136.04 138.73 42.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.395 175.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -83.05 93.95 7.69 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.94 112.9 19.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.18 110.65 22.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.288 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.13 116.3 29.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.71 0.29 . . . . 0.0 110.572 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.09 124.28 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.93 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.531 ' HA ' ' O ' ' A' ' 9' ' ' HIS . 38.7 t-80 -98.51 109.76 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.163 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 91.6 mt -73.37 -11.36 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.45 -19.77 65.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.871 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -94.74 -35.2 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.024 0.44 . . . . 0.0 110.726 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.0 119.04 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.356 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -83.29 -17.46 42.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.499 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -34.23 43.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 0.0 110.378 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -63.97 -21.03 66.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.052 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.51 -40.91 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.062 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -68.56 -38.18 80.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.03 -47.83 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.088 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.515 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -61.85 -40.41 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.248 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.6 -45.13 95.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 98.0 mttt -65.52 -32.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.707 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.88 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.67 15.75 7.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.919 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 53.9 t -75.95 117.13 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.218 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -97.01 -33.47 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.349 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -145.89 166.78 24.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 111.08 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.842 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 29.6 m -130.53 152.18 79.93 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.962 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 74.4 Cg_endo -76.53 149.27 90.84 Favored 'Cis proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.099 -1.626 . . . . 0.0 112.697 1.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.08 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 tp -99.16 103.14 15.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.824 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.86 99.47 9.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.67 105.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.51 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.34 29.04 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.456 0.646 . . . . 0.0 111.315 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.78 -24.01 20.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.69 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.23 111.79 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.845 0.355 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.32 112.39 20.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.36 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.31 100.42 9.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.988 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -67.97 131.78 46.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.099 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' HB3' ' B' ' 66' ' ' PHE . 57.7 mt -108.08 100.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 62.24 -164.85 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.039 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -128.04 110.73 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.99 -64.16 0.57 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.449 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 151.18 46.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.28 152.89 16.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.716 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.72 -24.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.426 0.631 . . . . 0.0 109.91 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.46 -24.45 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.376 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -85.14 -32.73 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.67 -20.45 64.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.631 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.954 0.407 . . . . 0.0 111.398 -178.263 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.43 ' HB3' ' OD1' ' B' ' 62' ' ' ASP . 25.4 m -71.11 157.82 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.678 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -107.69 149.74 27.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.721 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.482 ' HB2' HD22 ' B' ' 59' ' ' LEU . . . -122.9 117.39 25.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.485 177.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.82 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.5 pt -99.55 119.14 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 111.288 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' B' ' 35' ' ' ILE . 81.3 t80 -100.78 119.53 38.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.83 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.52 128.74 52.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.293 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -158.4 165.87 33.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.754 173.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.63 23.26 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.21 73.74 1.27 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.664 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.428 ' O ' HG22 ' B' ' 16' ' ' VAL . 58.4 m -127.01 148.55 66.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.85 -18.49 64.91 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.339 2.026 . . . . 0.0 112.093 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.44 -43.48 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.255 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.745 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 17.0 p -76.58 -20.33 56.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.699 -173.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 12' ' ' CYS . 97.1 t -56.47 -48.58 79.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.027 0.442 . . . . 0.0 110.364 177.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.8 m -63.69 -41.48 98.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.658 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.28 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.104 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.9 tt0 -67.72 -29.79 69.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -93.9 -23.86 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 -60.97 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.03 -39.81 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.721 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -80.83 9.57 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.71 -21.42 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 169.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.7 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.8 -45.42 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -101.26 97.56 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.45 144.86 62.39 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 42.6 Cg_exo -58.69 -17.79 37.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.369 2.713 . . . . 0.0 113.341 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 -10.58 50.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.016 0.436 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -99.9 -47.92 4.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 96.1 m-85 -135.59 143.06 45.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.594 173.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -71.46 96.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.995 0.426 . . . . 0.0 111.07 -175.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.72 122.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.923 0.392 . . . . 0.0 110.544 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -121.44 119.85 33.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.173 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' B' ' 7' ' ' PHE . 48.2 mm -89.32 127.58 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.516 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.542 HG13 ' HD3' ' B' ' 44' ' ' ARG . 38.6 t -114.06 104.07 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.287 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -90.58 108.67 19.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.04 -15.98 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.178 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.91 -19.15 73.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.379 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -82.01 -43.82 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.222 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.784 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 62.1 m-20 -133.1 119.83 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.09 -17.4 64.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 109.883 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.3 73.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.48 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.784 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 79.7 mtt-85 -71.78 -20.74 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.7 -38.75 90.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.375 177.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.534 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 33.1 mt-10 -62.56 -36.45 82.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.77 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.07 -46.25 90.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.58 -34.67 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 92.1 mttt -61.49 -36.6 80.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.653 177.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 -23.32 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.43 10.9 24.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.469 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 46.7 t -69.62 120.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -105.0 -15.77 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.9 m -145.09 147.77 32.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.63 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.45 -175.01 0.4 Allowed Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.745 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 2.5 Cg_exo 13.82 89.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.467 3.444 . . . . 0.0 115.675 -136.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.05 152.97 40.19 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.244 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' B' ' 5' ' ' ALA . 7.2 tt -125.08 126.92 46.11 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.82 ' HB ' HG13 ' B' ' 6' ' ' ILE . 53.5 t -109.07 116.55 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.075 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' B' ' 63' ' ' GLY . 61.0 mt -96.12 107.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.277 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' B' ' 3' ' ' SER . 7.7 m-20 68.49 -32.5 0.21 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.506 0.722 . . . . 0.0 112.901 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 166.69 -18.78 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 -175.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.39 121.59 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.73 -0.277 . . . . 0.0 110.257 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.5 121.96 31.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 111.71 -176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.477 ' HB3' HG22 ' A' ' 68' ' ' ILE . 89.9 m-85 -120.48 103.75 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.909 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -66.53 123.45 20.06 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 50.7 mm -105.25 98.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 61.1 96.83 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.953 0.783 . . . . 0.0 109.392 -170.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -41.97 105.53 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.159 0.912 . . . . 0.0 111.755 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.24 -93.87 0.4 Allowed Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.688 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.455 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 154.93 47.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.66 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.3 123.27 11.91 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.104 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -69.06 -27.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.068 0.461 . . . . 0.0 110.898 -175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.66 -24.82 58.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.62 -24.64 65.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.0 mt -73.53 -3.49 28.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.98 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.199 177.055 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -69.99 134.38 48.27 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HE3' HD12 ' A' ' 6' ' ' ILE . 59.1 pttt -96.9 147.49 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.63 0.729 . . . . 0.0 112.04 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 61' ' ' ILE . . . -113.99 120.66 41.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.891 173.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 16.1 mt -94.98 114.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.915 0.388 . . . . 0.0 110.304 -175.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.597 ' HE1' HD12 ' A' ' 68' ' ' ILE . 44.5 t80 -96.87 100.02 11.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.104 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.68 124.69 34.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.47 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 22.4 p80 -150.24 -179.55 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.844 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.67 18.86 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.94 54.94 18.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.758 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -124.08 151.74 65.93 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -44.03 -44.48 12.22 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.437 2.758 . . . . 0.0 113.624 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.7 -49.14 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.549 0.214 . . . . 0.0 111.537 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 29.2 p -75.48 -30.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.044 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.65 -37.4 77.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.309 175.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -67.05 -40.39 87.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.394 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.91 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 40.1 tt0 -62.92 -33.1 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.608 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -83.92 -39.03 20.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.182 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.0 -70.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.57 -41.39 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.755 0.312 . . . . 0.0 111.305 -173.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 19' ' ' GLU . . . -76.98 4.82 9.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.614 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -117.08 -24.54 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.97 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.0 112.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.14 118.88 43.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.43 -12.81 35.01 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.26 2.64 . . . . 0.0 112.947 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -100.72 4.43 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.156 0.503 . . . . 0.0 110.015 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -117.87 -35.41 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.26 135.14 44.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.035 171.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.2 m -74.25 104.19 4.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.074 0.464 . . . . 0.0 110.937 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.3 110.25 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.156 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 36.9 tt0 -113.02 112.63 24.2 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.43 130.05 47.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -175.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -130.09 130.78 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.681 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.91 120.3 23.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 tm? -91.57 -23.24 19.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.65 0.69 88.21 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.611 -172.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -101.03 -37.86 8.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.226 0.513 . . . . 0.0 111.673 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.52 132.83 55.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.935 0.398 . . . . 0.0 111.577 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.22 -4.39 58.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.784 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -35.86 41.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.002 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -72.78 -16.02 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 177.014 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 74' ' ' ILE . 52.8 mt -63.07 -38.56 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 109.959 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.99 78.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' OE2' ' HG3' ' A' ' 44' ' ' ARG . 41.4 mt-10 -67.73 -36.56 80.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 175.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.17 -44.5 96.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.789 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.18 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -75.32 -29.59 60.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.999 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.18 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.32 29.88 3.55 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 87.7 t -83.51 126.0 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.775 0.322 . . . . 0.0 110.305 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 74' ' ' ILE . 98.4 mttt -105.77 -37.51 6.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.484 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 26.0 p -151.32 157.51 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.142 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 35.0 m -98.57 147.98 33.9 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HG3' ' CB ' ' A' ' 15' ' ' CYS . 1.2 Cg_endo -80.2 133.05 25.84 Favored 'Cis proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.95 -1.271 . . . . 0.0 112.733 3.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.06 31.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.589 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.87 100.58 12.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.725 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.25 97.67 7.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 63' ' ' GLY . 55.1 mt -90.86 106.04 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 71.31 -32.4 0.25 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.821 0.7 . . . . 0.0 112.07 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.34 -20.72 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.03 118.77 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 110.253 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.2 123.39 33.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.36 112.21 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.948 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' HD2' ' O ' ' A' ' 55' ' ' SER . 72.5 m80 -82.15 121.2 26.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.562 -177.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.597 HD12 ' HE1' ' A' ' 7' ' ' PHE . 48.8 mt -94.4 96.51 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 63.11 -165.37 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -120.21 112.29 18.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.41 -77.55 1.24 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.414 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 132.11 29.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -88.62 145.09 18.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.324 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.472 HD13 HG22 ' A' ' 45' ' ' ILE . 14.6 tt -66.91 -29.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.03 -40.79 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.517 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.57 -18.74 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -74.29 -26.85 60.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.719 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.691 179.531 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -67.02 142.98 57.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -97.63 145.88 25.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.489 0.661 . . . . 0.0 111.762 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.5 ' HB1' HD23 ' B' ' 59' ' ' LEU . . . -120.21 116.61 25.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.179 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 35.9 mt -101.86 114.2 40.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -173.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -96.52 122.09 39.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -106.54 133.05 51.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.499 ' HA ' ' HB ' ' B' ' 56' ' ' VAL . 8.0 p80 -154.25 -179.43 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.394 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 25.27 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.666 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.89 59.95 5.22 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.978 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.503 ' O ' HG21 ' B' ' 16' ' ' VAL . 20.0 m -117.17 148.27 42.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -52.29 -35.52 64.41 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.581 2.187 . . . . 0.0 112.157 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.41 -46.97 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.478 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.919 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 25.7 p -77.92 -18.37 56.2 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.469 -175.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.503 HG21 ' O ' ' B' ' 12' ' ' CYS . 95.9 t -60.36 -53.76 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 109.752 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.4 m -64.02 -41.93 97.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.47 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.26 96.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.275 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -63.09 -50.77 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.07 -4.67 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.07 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 -66.13 1.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.89 -50.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 -175.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.68 -0.68 27.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.051 0.453 . . . . 0.0 110.926 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -93.49 -37.81 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.36 70.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.461 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.97 94.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' B' ' 29' ' ' SER . 4.6 p-10 -91.59 156.33 43.16 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.818 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 32.6 Cg_exo -60.08 -16.98 42.66 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.49 2.793 . . . . 0.0 114.305 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.436 ' HB2' ' OD2' ' B' ' 27' ' ' ASP . 51.0 m -79.72 -10.78 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 110.435 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -107.32 -51.82 2.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 58.4 m-85 -137.37 138.1 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.745 176.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 22.9 m -73.94 107.82 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.887 0.375 . . . . 0.0 110.478 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.67 124.33 38.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.032 0.444 . . . . 0.0 111.275 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 13.5 tp10 -117.9 111.14 18.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.64 122.79 54.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 52.9 t -119.58 125.15 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.216 0.531 . . . . 0.0 111.176 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -89.81 113.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.468 HD13 ' CG1' ' B' ' 56' ' ' VAL . 68.7 mt -84.63 -5.99 59.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.821 0.343 . . . . 0.0 111.601 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.44 49.3 2.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.797 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -153.29 -45.77 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.42 126.61 46.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.42 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -72.82 -19.62 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.209 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -68.42 -32.2 72.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 110.049 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' B' ' 47' ' ' GLU . 69.2 mmt-85 -68.54 -32.87 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.223 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.416 HG21 HD11 ' B' ' 74' ' ' ILE . 73.4 mt -62.48 -41.48 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.121 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.41 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.608 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 42.7 mt-10 -66.72 -32.18 73.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -62.3 -55.97 22.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.98 -29.78 71.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -63.82 -37.15 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.137 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.56 26.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.79 5.66 10.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.898 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.454 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 22.6 t -80.11 98.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.82 -5.19 35.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.533 ' HB3' ' CD2' ' B' ' 67' ' ' HIS . 37.9 t -147.52 144.5 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.574 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 6.9 m -76.52 -168.21 0.14 Allowed Pre-proline 0 C--O 1.238 0.494 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.919 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 5.8 Cg_exo 15.22 85.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 123.713 2.942 . . . . 0.0 114.8 -136.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.29 156.32 41.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.504 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.5 HD23 ' HB1' ' B' ' 5' ' ' ALA . 6.7 tt -128.79 126.03 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.034 0.445 . . . . 0.0 110.305 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 54.0 t -97.3 119.05 44.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.76 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -102.1 108.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.71 -48.89 0.66 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.896 0.748 . . . . 0.0 111.799 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.12 -27.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.097 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.63 126.03 33.6 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.805 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.371 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -118.12 116.8 27.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.809 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' HB3' ' B' ' 55' ' ' SER . 70.4 m80 -75.09 125.04 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -112.49 100.57 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 61.89 99.18 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.5 -170.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -44.92 105.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.008 0.818 . . . . 0.0 111.44 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.428 ' HA3' ' HG2' ' B' ' 57' ' ' PRO . . . -80.39 -90.81 0.49 Allowed Glycine 0 N--CA 1.437 -1.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.811 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.518 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.69 133.04 30.02 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.826 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.26 142.08 36.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.886 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.416 HD11 HG21 ' B' ' 45' ' ' ILE . 10.8 tp -60.36 -28.88 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 111.248 -176.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.35 -21.4 53.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.759 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.71 -28.63 63.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.447 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.78 -25.38 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.687 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 87.7 mttt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.647 179.056 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.634 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.2 m -76.32 147.36 38.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.719 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.38 115.26 18.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.082 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.33 110.67 14.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.483 HG12 ' OE1' ' A' ' 34' ' ' GLU . 4.5 mt -96.56 128.67 47.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.887 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -107.49 99.1 8.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -90.16 123.67 34.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 18.8 p80 -141.79 171.93 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.294 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.35 15.63 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.63 19.68 78.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.734 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 m -78.91 149.17 73.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.68 -27.63 62.01 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 112.348 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.14 -31.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.779 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 42.4 m -72.71 -27.92 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.85 -50.59 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.297 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -59.01 -41.42 87.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.361 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.9 tt0 -67.0 -42.52 84.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.62 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -58.95 -56.79 17.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.874 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.28 -58.36 2.4 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -174.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.24 -49.0 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.657 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.16 -14.26 62.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -105.88 1.12 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.62 -29.27 15.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.621 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' HB2' ' B' ' 25' ' ' ALA . 78.5 mt -66.02 120.84 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.6 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.09 126.13 75.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.126 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.98 -19.67 33.4 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.477 2.785 . . . . 0.0 113.495 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.9 p -72.68 -11.64 60.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.671 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' B' ' 27' ' ' ASP . 63.1 mttm -109.36 -51.98 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.634 ' CD2' ' HB2' ' A' ' 3' ' ' SER . 71.5 m-85 -131.63 149.62 52.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.274 -174.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 m -99.22 109.71 22.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.5 t -84.33 104.48 12.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.945 0.402 . . . . 0.0 110.804 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' HG12 ' A' ' 6' ' ' ILE . 39.7 mt-10 -88.48 106.65 18.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.365 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mm -78.91 108.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.69 115.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.434 . . . . 0.0 111.436 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -88.39 117.12 27.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.803 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.73 -24.21 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 112.02 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.85 39.01 2.17 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.093 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -133.36 -42.03 0.87 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -133.82 129.5 36.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.463 ' HA ' HG12 ' A' ' 45' ' ' ILE . 59.9 mttp -88.95 0.42 56.65 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.77 -31.89 25.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -71.52 -8.93 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.488 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.463 HG12 ' HA ' ' A' ' 42' ' ' LYS . 48.6 mm -61.7 -45.54 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.65 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.01 -47.5 86.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.111 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.2 91.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.73 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.74 -42.93 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -69.33 -27.58 65.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.253 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.05 59.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 0.0 111.1 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.17 10.31 39.68 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.59 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.91 114.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.71 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' HG ' ' A' ' 55' ' ' SER . 90.2 mttt -99.26 -25.22 14.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.818 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 54' ' ' LYS . 48.2 m -155.11 168.19 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.1 m -117.13 146.37 37.93 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.585 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.779 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 79.5 Cg_endo -83.56 146.55 54.71 Favored 'Cis proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.908 -0.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.55 129.68 49.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD23 HD12 ' A' ' 26' ' ' ILE . 60.4 tp -102.77 102.98 13.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.158 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.1 t -85.81 97.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 0.0 109.87 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.65 100.72 11.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.829 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 62.04 16.39 8.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.416 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.42 -21.69 6.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.748 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.93 123.84 38.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.747 0.273 . . . . 0.0 110.581 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.18 24.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.02 0.438 . . . . 0.0 111.445 -175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.8 m-85 -115.91 104.75 11.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.324 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.2 m80 -71.45 146.53 48.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.689 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -132.2 105.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 123.296 0.373 . . . . 0.0 110.106 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 66.16 106.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.08 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.95 100.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.03 -66.6 0.99 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.845 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.41 142.1 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.51 153.81 30.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.204 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.04 -26.04 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.69 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.721 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.17 -31.15 65.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.918 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.47 -35.55 53.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.0 110.555 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.356 -179.774 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 121.204 0.526 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -63.57 166.96 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.244 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' B' ' 32' ' ' THR . 2.3 pttp -87.07 121.97 30.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.462 0.649 . . . . 0.0 111.202 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.45 119.62 34.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.204 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.52 114.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.0 0.429 . . . . 0.0 111.278 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' B' ' 35' ' ' ILE . 53.4 t80 -94.56 98.09 10.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.41 ' CD2' HG21 ' B' ' 53' ' ' VAL . 57.1 m-85 -85.21 118.12 24.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.736 0.303 . . . . 0.0 110.23 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 6.3 p80 -135.27 -175.88 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.546 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.96 22.6 2.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.9 61.81 2.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.223 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 35.9 m -129.49 156.46 78.57 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.72 -33.57 96.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.617 2.212 . . . . 0.0 111.627 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.21 -39.88 53.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.658 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 4.5 m -71.12 -30.28 66.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.667 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 20' ' ' GLN . 41.2 t -72.5 -48.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -64.71 -39.57 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.79 75.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.87 -42.83 89.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' B' ' 16' ' ' VAL . 47.6 mm-40 -79.32 -16.75 55.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.722 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 -64.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.821 0.343 . . . . 0.0 111.802 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.18 -48.82 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.26 -11.79 60.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -83.79 -36.19 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.127 0.489 . . . . 0.0 109.88 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.515 ' HB2' HG22 ' A' ' 26' ' ' ILE . . . -67.84 -36.66 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.859 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -88.96 106.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.635 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 11.6 t70 -65.46 134.49 95.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.056 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.09 -20.35 71.05 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.971 2.447 . . . . 0.0 112.931 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t -92.35 -15.65 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.585 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 51.7 tttp -82.54 -47.7 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.227 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -139.35 147.88 42.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 174.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' B' ' 4' ' ' LYS . 10.8 m -83.72 93.9 8.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.57 123.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.269 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.54 123.33 43.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.662 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' B' ' 7' ' ' PHE . 42.2 mt -99.12 118.14 45.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.993 0.425 . . . . 0.0 110.735 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.527 HG12 ' HD3' ' B' ' 44' ' ' ARG . 92.3 t -112.92 125.02 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.885 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -90.14 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.309 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.615 HD13 HG11 ' B' ' 56' ' ' VAL . 68.7 mt -86.36 -14.5 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 111.305 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.39 -10.16 81.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.332 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -106.11 -60.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.831 0.348 . . . . 0.0 111.319 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.65 135.35 37.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.234 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -88.19 -21.54 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.753 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.06 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.527 ' HD3' HG12 ' B' ' 36' ' ' VAL . 69.7 mtt85 -65.5 -27.0 68.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.971 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.521 . . . . 0.0 109.611 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.23 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.862 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -59.68 -38.12 80.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.008 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.56 -39.89 92.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.099 0.476 . . . . 0.0 110.713 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.81 -32.1 46.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.29 78.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.577 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.69 39.45 0.71 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 36.4 t -109.75 122.43 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.514 0.197 . . . . 0.0 110.518 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -101.27 -18.36 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.0 111.238 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.729 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 24.8 m -139.67 141.99 36.96 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.154 -177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.615 HG11 HD13 ' B' ' 38' ' ' LEU . 12.1 m -82.88 -173.35 0.43 Allowed Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.064 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.775 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.45 88.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.437 0 C-N-CA 124.196 3.264 . . . . 0.0 115.437 -136.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.694 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -145.0 162.39 37.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 113.247 -1.797 . . . . 0.0 109.575 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.29 117.11 24.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 0.0 110.741 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 44.9 t -96.57 101.18 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.89 116.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.98 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 64.22 12.39 7.08 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.595 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.51 -21.86 9.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.542 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.85 126.67 37.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 110.53 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.41 117.45 27.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.95 0.405 . . . . 0.0 111.487 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -112.97 110.15 20.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.8 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 60.3 m80 -73.14 134.6 44.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.694 HG13 ' HA ' ' B' ' 58' ' ' ALA . 4.3 mt -92.97 -171.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 76.2 m-20 -27.02 111.27 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.552 0.533 . . . . 0.0 110.254 166.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -48.11 101.59 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.319 1.012 . . . . 0.0 112.009 -167.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.19 -87.62 0.5 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.93 -176.27 4.52 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.684 176.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.729 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -109.95 162.27 12.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.141 174.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 tt -72.22 -24.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.4 -28.58 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.559 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.48 -47.43 67.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.031 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.56 -27.85 41.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.329 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.015 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.271 0.557 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -99.55 170.2 8.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.265 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HE3' HD11 ' A' ' 6' ' ' ILE . 51.2 tptt -72.26 114.66 10.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.88 109.08 11.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.207 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 34' ' ' GLU . 28.8 mm -97.43 132.15 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.899 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.561 ' HD2' HG21 ' A' ' 35' ' ' ILE . 57.9 t80 -111.77 102.47 10.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -86.67 131.34 34.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.647 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 5.3 p80 -153.68 165.85 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.9 9.75 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.83 33.73 50.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.378 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 158.59 35.94 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.11 -40.65 68.1 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.667 2.244 . . . . 0.0 112.087 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.36 -36.37 72.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.564 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.757 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 60.5 m -67.42 -38.91 85.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.76 -45.62 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.286 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 m -61.51 -45.24 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.799 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.89 92.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.43 -59.63 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -69.01 -12.93 62.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -171.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.5 -63.67 1.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.95 -55.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.615 0.245 . . . . 0.0 111.569 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.59 74.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 111.194 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -73.86 -30.95 62.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.693 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.92 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.346 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.43 118.91 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.227 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 5.2 m-20 -69.33 128.07 92.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 15.0 Cg_exo -69.82 -3.5 12.18 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 111.061 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 t -95.52 -6.74 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.34 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -108.69 -50.82 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.747 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.663 ' HH ' ' HA ' ' B' ' 25' ' ' ALA . 89.6 m-85 -123.59 156.54 35.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.779 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 m -89.72 91.8 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.024 0.44 . . . . 0.0 110.229 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.54 110.26 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.544 ' HB3' HD12 ' A' ' 6' ' ' ILE . 35.4 tt0 -111.78 107.15 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.537 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.561 HG21 ' HD2' ' A' ' 7' ' ' PHE . 66.9 mt -88.74 125.5 41.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.043 -175.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.34 122.39 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -86.88 116.56 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.617 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.52 -5.74 55.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.606 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.07 47.5 3.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.2 m -157.48 -55.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.068 0.461 . . . . 0.0 110.759 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -104.29 131.68 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.639 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.82 -15.02 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.686 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.34 74.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.256 0.551 . . . . 0.0 109.927 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -72.96 -11.04 60.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.838 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.57 -40.55 86.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.12 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.073 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.03 -46.52 87.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.364 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -65.61 -40.51 92.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.895 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' OE2' ' HE3' ' A' ' 78' ' ' LYS . 39.1 tt0 -64.63 -37.49 87.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.08 -36.45 83.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.583 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.46 -42.44 43.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.573 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.61 21.59 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.43 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 57.9 t -82.99 134.54 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.479 0.18 . . . . 0.0 110.52 -178.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.523 ' O ' HG21 ' A' ' 74' ' ' ILE . 95.6 mttt -111.48 -34.11 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.723 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.402 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 15.6 m -135.15 161.1 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.896 0.379 . . . . 0.0 110.984 -174.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.4 m -124.45 145.75 50.02 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.826 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.757 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 6.2 Cg_exo -78.03 153.66 93.12 Favored 'Cis proline' 0 CA--C 1.528 0.177 0 C-N-CA 123.755 -1.352 . . . . 0.0 112.859 2.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -138.32 133.72 33.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.415 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -106.32 108.08 19.41 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 43.7 t -89.1 102.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.338 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -97.44 106.54 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.339 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 62.98 17.13 9.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.423 0.63 . . . . 0.0 111.273 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.88 -17.19 17.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.314 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.32 114.25 26.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.755 0.312 . . . . 0.0 110.172 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -84.98 112.41 20.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 111.656 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.22 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.079 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.541 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 69.0 m80 -71.61 139.01 49.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.395 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.511 ' O ' ' HD2' ' A' ' 57' ' ' PRO . 52.7 mt -113.34 92.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.891 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 65.23 -173.76 0.18 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.841 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -127.57 104.59 7.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.88 -56.14 1.17 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 173.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 157.0 46.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.7 135.08 12.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.66 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.523 HG21 ' O ' ' A' ' 54' ' ' LYS . 11.4 tt -66.07 -34.72 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.44 -30.2 69.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.97 -35.09 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.358 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.39 -24.71 24.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.392 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HE3' ' OE2' ' A' ' 49' ' ' GLU . 59.2 tttm . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.046 0.451 . . . . 0.0 111.101 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.637 0.256 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.49 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 56.3 p -101.79 -168.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' B' ' 6' ' ' ILE . 73.1 tttt -99.94 120.27 39.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.094 0.473 . . . . 0.0 110.891 -177.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -115.96 121.21 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.664 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.715 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 32.8 mm -95.28 141.06 15.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.664 -176.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.599 ' HD2' HG23 ' B' ' 35' ' ' ILE . 71.0 t80 -126.58 106.74 9.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 59.4 m-85 -92.83 129.27 38.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.876 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.75 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 6.4 p80 -134.49 159.85 39.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.76 0.314 . . . . 0.0 110.552 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' B' ' 12' ' ' CYS . . . -117.03 9.18 13.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.186 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.46 58.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.178 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.484 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 34.7 m -94.45 163.83 21.77 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 13.2 Cg_endo -57.19 -30.75 88.39 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.557 2.171 . . . . 0.0 111.737 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.91 -34.67 63.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.691 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.861 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 34.0 m -67.09 -43.27 82.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 43.9 t -56.44 -54.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.168 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.8 m -63.99 -34.78 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.18 94.71 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.502 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.8 mt-10 -63.22 -50.26 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 96.6 mt-30 -59.54 -33.8 71.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.37 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.58 -68.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -65.86 -48.0 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.63 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.19 -10.83 60.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.637 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -25.48 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.843 0.354 . . . . 0.0 110.361 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.663 ' HA ' ' HH ' ' A' ' 31' ' ' TYR . . . -70.32 -33.48 71.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.14 108.73 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.154 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.27 133.9 87.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.851 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.66 -27.52 85.14 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.02 -18.65 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.048 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.426 ' HE3' ' HE2' ' B' ' 31' ' ' TYR . 63.9 tttp -91.73 -41.35 10.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.285 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.49 ' HD1' ' H ' ' B' ' 3' ' ' SER . 70.5 m-85 -142.4 143.94 32.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.665 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -76.64 94.1 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.009 0.433 . . . . 0.0 110.071 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 47.2 t -87.58 111.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.706 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.27 108.3 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.599 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.57 122.62 47.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.222 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.98 132.48 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -79.89 122.62 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 109.996 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 38' ' ' LEU . 40.4 tp -124.54 18.45 8.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.471 0.653 . . . . 0.0 109.995 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.35 1.92 70.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.973 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -142.64 -22.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.49 116.74 27.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -89.36 -10.65 45.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.848 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.45 58.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.06 -4.84 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.059 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.61 -43.88 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.195 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -66.64 -37.51 84.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.68 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -48.37 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.524 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -59.52 -39.79 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.02 -38.73 87.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.636 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 62.5 mttm -76.6 -15.02 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.17 -4.54 48.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.03 10.4 62.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.689 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 32.4 t -87.48 112.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -109.53 -4.71 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.533 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.689 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 49.6 m -150.05 154.41 38.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.807 ' HB ' ' HD2' ' B' ' 57' ' ' PRO . 0.2 OUTLIER -87.66 -162.95 0.04 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.51 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.861 ' HG3' ' HG ' ' B' ' 15' ' ' CYS . 19.9 Cg_exo 5.3 87.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.743 2.962 . . . . 0.0 114.652 -142.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -148.68 153.97 39.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.684 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.77 111.26 23.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.022 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.715 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 24.4 t -101.48 96.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -90.83 111.21 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.339 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 55.86 31.62 18.08 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.078 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.21 -14.1 59.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.028 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 111.84 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.858 0.361 . . . . 0.0 110.125 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.88 110.82 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 111.583 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.479 ' HB3' HG22 ' A' ' 68' ' ' ILE . 95.0 m-85 -107.52 97.41 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.689 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -71.87 129.69 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mm -93.0 110.95 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 93.2 m-20 64.49 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.7 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -178.16 88.13 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -76.89 -84.55 0.46 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.177 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.77 154.22 47.34 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.963 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.41 143.25 16.52 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.65 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.79 -23.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.402 0.62 . . . . 0.0 109.418 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.674 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.18 -30.13 70.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.98 -1.24 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.306 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.085 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.536 0.208 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -103.83 169.94 8.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 173.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.759 ' HE2' HG12 ' A' ' 6' ' ' ILE . 87.1 tttt -87.6 133.03 33.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 112.024 -173.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -122.47 115.96 23.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.352 173.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.759 HG12 ' HE2' ' A' ' 4' ' ' LYS . 3.9 mt -104.77 113.81 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 110.866 -173.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -97.84 110.56 23.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.829 0.347 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -100.09 127.56 46.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 33.1 p80 -152.24 176.24 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.344 173.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.95 21.51 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.245 . . . . 0.0 111.577 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.45 77.06 0.58 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.742 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -137.46 159.89 67.54 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.32 -42.79 46.57 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.837 2.358 . . . . 0.0 112.27 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -41.58 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.729 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.891 ' HG ' ' HG3' ' A' ' 57' ' ' PRO . 37.5 m -61.59 -39.83 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.495 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.25 -47.35 92.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 -41.35 97.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.25 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.1 tt0 -72.87 -43.24 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.198 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -72.77 -33.64 66.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.54 -66.56 0.89 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.24 -42.68 81.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.612 0.244 . . . . 0.0 111.424 -173.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -73.01 -7.7 52.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.278 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -23.7 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.997 0.427 . . . . 0.0 110.096 172.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.63 76.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.09 91.32 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.19 127.21 92.66 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.696 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.75 -17.79 60.96 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.987 2.458 . . . . 0.0 112.636 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -86.87 -14.93 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.244 0.545 . . . . 0.0 109.992 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -103.5 -37.36 7.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.856 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.537 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 90.7 m-85 -139.88 147.21 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.057 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -83.38 95.8 8.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -84.0 119.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.644 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.86 113.43 20.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.67 119.07 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.747 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.34 125.45 70.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.045 0.45 . . . . 0.0 110.581 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -92.9 123.74 36.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.692 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.2 mt -88.24 -3.2 58.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.529 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.67 -29.46 16.07 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.642 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -65.5 -45.54 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.25 119.95 23.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.505 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 65.8 mttp -69.56 -24.93 63.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.187 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.65 84.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -75.39 -12.16 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.153 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 42' ' ' LYS . 72.2 mt -67.07 -43.18 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.65 85.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.246 176.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.65 95.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.31 -52.75 60.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.824 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -75.0 -10.65 59.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.276 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.86 -12.27 48.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.79 16.11 14.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.116 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.97 116.06 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.256 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -95.53 -32.63 12.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -153.04 175.25 13.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.483 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.94 147.17 64.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.623 0.249 . . . . 0.0 110.533 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.891 ' HG3' ' HG ' ' A' ' 15' ' ' CYS . 5.6 Cg_exo -77.85 150.25 89.35 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 123.545 -1.44 . . . . 0.0 112.436 -0.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.34 117.56 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.95 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 61' ' ' ILE . 2.1 tt -100.46 102.12 13.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 47.1 t -79.01 95.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.956 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' HD21 ' A' ' 59' ' ' LEU . 69.2 mt -90.7 110.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.36 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.64 -2.94 2.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.46 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.08 -29.57 2.62 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.394 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.34 128.33 36.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.662 0.268 . . . . 0.0 110.627 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.51 119.09 22.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.069 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' B' ' 68' ' ' ILE . 81.6 m-85 -111.1 107.44 16.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.292 0.567 . . . . 0.0 110.467 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 52.0 m80 -81.01 109.2 15.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.624 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -89.85 106.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.667 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.8 96.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.896 0.747 . . . . 0.0 111.093 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.65 104.82 0.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.083 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.57 -52.07 0.88 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.756 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.65 136.88 34.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.644 0.259 . . . . 0.0 110.473 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.11 165.26 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.088 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 tt -75.2 -8.77 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.366 0.603 . . . . 0.0 110.106 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.6 -42.8 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.771 172.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.9 -14.46 62.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.249 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.4 tp -85.75 -6.69 59.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.314 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.366 177.792 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -94.49 178.53 5.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -87.76 126.69 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -119.78 97.28 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.643 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.3 pt -105.39 115.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.975 0.417 . . . . 0.0 112.013 -174.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' B' ' 59' ' ' LEU . 38.7 t80 -90.79 133.04 35.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -122.8 123.02 40.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.707 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 31.0 p80 -146.15 168.18 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.12 25.47 10.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.13 29.77 60.0 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.729 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.511 ' O ' HG23 ' B' ' 16' ' ' VAL . 4.1 m -85.05 145.23 42.84 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 -35.74 84.45 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.465 2.11 . . . . 0.0 111.713 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.35 -45.19 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.636 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 5.9 p -87.21 -9.02 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 12' ' ' CYS . 74.2 t -64.66 -51.46 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -64.09 -34.89 79.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.32 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.27 -52.31 66.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -58.31 -41.35 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.089 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.72 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -71.46 -38.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.41 -12.52 60.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.978 0.418 . . . . 0.0 111.204 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.21 -24.28 15.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 0.0 109.817 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.33 -46.22 56.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.75 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.6 mt -89.04 112.8 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.636 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.26 151.9 40.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.074 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 31.4 Cg_exo -59.96 -21.04 63.08 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.585 2.856 . . . . 0.0 113.465 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.2 m -74.85 -44.63 48.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.229 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -71.27 -45.12 63.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.17 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 72.5 m-85 -144.07 135.8 26.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 32.4 m -75.26 96.42 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.185 0.517 . . . . 0.0 110.516 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 36.6 t -88.43 146.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.285 -175.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.409 ' HB3' HG21 ' B' ' 6' ' ' ILE . 44.4 tt0 -145.22 130.76 18.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.611 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mm -100.4 121.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.821 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -119.91 128.74 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.454 . . . . 0.0 110.608 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -96.61 117.23 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.367 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -96.39 9.82 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.55 21.32 29.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.507 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.6 m -147.97 -71.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.668 -0.313 . . . . 0.0 110.692 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -73.86 116.83 14.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.192 0.52 . . . . 0.0 110.513 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.462 ' HA ' HD13 ' B' ' 45' ' ' ILE . 52.8 mttp -89.62 -14.16 35.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.49 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.229 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.52 HH21 ' CD ' ' B' ' 47' ' ' GLU . 0.6 OUTLIER -62.49 -29.06 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.787 178.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' B' ' 42' ' ' LYS . 72.1 mt -62.55 -42.44 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.523 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -67.51 -28.38 67.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.207 0.527 . . . . 0.0 110.896 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.52 ' CD ' HH21 ' B' ' 44' ' ' ARG . 34.8 mt-10 -80.22 -29.68 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.813 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.36 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.523 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 45.7 mt-10 -51.19 -47.12 62.29 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.645 0.736 . . . . 0.0 109.95 173.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -82.97 -11.18 58.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.463 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.89 31.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 0.0 110.832 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.74 8.92 27.53 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.732 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.98 105.54 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -93.79 -28.86 15.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.762 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.619 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.3 m -146.72 157.96 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.777 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.623 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.7 m -84.69 -172.29 0.35 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.603 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.623 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.1 Cg_exo 15.27 84.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.106 3.204 . . . . 0.0 115.375 -137.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.59 175.84 13.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 113.532 -1.667 . . . . 0.0 109.644 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.555 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 2.3 pt? -150.93 141.58 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.114 0.483 . . . . 0.0 111.081 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.643 ' HB ' HG13 ' B' ' 6' ' ' ILE . 29.3 t -95.4 101.22 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.423 HG13 ' HG ' ' B' ' 59' ' ' LEU . 68.3 mt -96.7 115.96 37.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.188 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 73.26 -15.56 0.53 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.595 0.559 . . . . 0.0 111.489 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 133.63 0.77 3.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.168 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.0 123.94 48.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.628 0.251 . . . . 0.0 110.341 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.31 105.38 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.927 0.394 . . . . 0.0 111.28 -177.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.405 ' O ' HD22 ' B' ' 59' ' ' LEU . 85.6 m-85 -97.22 132.58 42.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.619 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 69.3 m80 -96.74 120.43 37.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.514 HG22 ' HB3' ' A' ' 66' ' ' PHE . 43.4 mt -109.41 109.96 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.646 -173.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 63.18 100.48 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 124.216 0.947 . . . . 0.0 109.174 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -43.57 102.22 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.224 0.953 . . . . 0.0 111.608 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.16 -100.14 0.53 Allowed Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' B' ' 55' ' ' SER . . . -139.87 151.43 45.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.056 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.25 147.93 46.63 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.869 -1.158 . . . . 0.0 110.482 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 18.6 tt -60.11 -33.11 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.398 0.599 . . . . 0.0 110.681 -176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.853 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 2.7 m-20 -79.4 1.49 25.14 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -82.99 -23.05 33.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.51 -40.72 5.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.15 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.853 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 51.0 tttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.242 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -75.23 162.92 28.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -89.26 120.14 30.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.068 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.485 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -116.28 113.21 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.208 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.77 124.8 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.56 0.219 . . . . 0.0 110.745 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -109.27 112.36 24.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.876 0.37 . . . . 0.0 110.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.79 133.16 45.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.615 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 21.2 p80 -158.41 171.12 20.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 172.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.94 12.57 16.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 3.34 84.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.104 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.85 151.29 89.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.502 0.151 . . . . 0.0 110.643 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.05 -40.78 75.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.941 2.427 . . . . 0.0 112.028 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.25 -37.51 63.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.52 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.899 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 47.4 m -73.4 -39.2 65.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.881 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -57.35 -44.28 83.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.482 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 m -61.43 -48.12 82.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.54 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.63 -60.58 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -76.62 -16.74 59.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.8 -57.51 2.72 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.519 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.595 HG23 HG22 ' A' ' 68' ' ' ILE . 47.9 t -70.21 -39.56 77.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.44 -3.96 30.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.502 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.21 -21.69 12.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 110.096 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.57 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.786 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.87 110.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.14 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.31 131.2 94.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.887 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.57 -27.0 69.45 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.889 2.393 . . . . 0.0 112.553 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -79.59 -16.05 56.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.582 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -87.02 -57.94 2.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 81.7 m-85 -132.07 127.36 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.722 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 m -77.09 107.64 9.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 111.394 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.64 116.49 29.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.78 122.2 46.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.598 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.84 130.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.959 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -124.13 114.32 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.298 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -89.87 117.78 28.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB3' HG12 ' A' ' 45' ' ' ILE . 90.4 mt -76.5 -7.01 54.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.49 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.56 -8.69 73.44 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.737 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.6 m -84.03 -33.21 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.32 135.68 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.276 -173.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 45' ' ' ILE . 97.3 mttt -80.74 -21.15 41.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.113 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.54 -34.17 69.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.105 0.479 . . . . 0.0 110.246 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -73.42 -19.28 61.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -67.43 -41.3 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 172.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -64.71 -35.04 79.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.237 176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.72 -51.07 70.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.153 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.11 -44.04 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.95 -46.66 84.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.007 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 63.7 mttp -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.22 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.11 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.306 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.59 21.4 1.03 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.694 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -86.99 106.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -105.35 -8.82 17.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.892 -176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m -148.02 158.24 43.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 m -114.14 137.52 22.5 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.472 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.899 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.2 Cg_endo -91.89 168.93 24.99 Favored 'Cis proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.411 -1.495 . . . . 0.0 113.061 -0.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -146.26 145.3 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 5' ' ' ALA . 6.2 tt -123.46 121.41 35.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.206 0.527 . . . . 0.0 109.633 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 40.5 t -90.22 106.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.281 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.81 93.14 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 51.38 46.63 26.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.53 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.78 -37.7 3.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.826 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.66 111.65 20.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 110.766 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -90.05 108.97 20.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.397 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.39 123.29 48.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.225 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 66.1 m80 -74.44 118.75 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.595 HG22 HG23 ' A' ' 22' ' ' VAL . 54.5 mt -97.19 104.19 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.81 0.338 . . . . 0.0 110.766 -176.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 t30 69.94 93.23 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.303 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.55 114.23 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.73 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.27 -79.07 1.17 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.973 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.32 154.53 47.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.548 0.214 . . . . 0.0 110.99 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.88 146.49 35.23 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -69.45 -26.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.965 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.614 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 47.7 m-20 -78.1 -10.24 59.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.371 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.58 -29.02 59.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.472 0.653 . . . . 0.0 109.486 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.2 -4.19 56.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.95 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 75' ' ' ASP . 35.2 mmtp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.021 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . 0.668 ' HA ' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -107.39 167.87 9.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.245 0.545 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.35 121.72 26.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -120.26 108.3 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -99.68 134.9 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.541 ' HD1' HG22 ' B' ' 35' ' ' ILE . 55.3 t80 -118.62 105.27 11.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.217 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 72.3 m-85 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.292 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.527 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 8.5 p80 -149.1 157.7 43.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.843 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.02 -53.23 2.64 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.18 3.22 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.396 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.59 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 89.6 m -148.52 -63.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 35.8 Cg_exo -56.97 -52.53 6.53 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.831 1.687 . . . . 0.0 113.263 -168.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.502 HG12 ' HA2' ' B' ' 71' ' ' GLY . 65.4 t -64.61 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.953 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.527 ' CB ' ' HB2' ' B' ' 9' ' ' HIS . 5.3 p -93.37 -41.48 9.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' B' ' 12' ' ' CYS . 75.9 t -60.66 -37.98 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 117.976 0.353 . . . . 0.0 111.673 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.9 m -61.25 -45.29 95.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -36.96 78.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.95 -57.07 13.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.533 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.75 -21.27 62.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.828 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 -57.67 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.134 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.549 HG11 HD21 ' B' ' 59' ' ' LEU . 42.6 t -71.21 -39.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.759 -173.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.6 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.773 0.32 . . . . 0.0 111.475 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -104.98 -9.79 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.557 . . . . 0.0 110.261 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -87.4 -32.49 19.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.203 175.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.97 130.78 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.066 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.64 128.75 94.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.628 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.4 -21.53 71.35 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.63 2.22 . . . . 0.0 111.819 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -77.93 -35.44 50.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.134 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' B' ' 2' ' ' ALA . 53.1 tttp -72.97 -48.81 33.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.722 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -131.72 130.02 41.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.81 98.99 4.3 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.92 0.39 . . . . 0.0 110.392 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 44.4 t -82.37 108.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.061 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -104.79 106.62 17.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.906 177.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.541 HG22 ' HD1' ' B' ' 7' ' ' PHE . 37.2 mt -91.57 130.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.38 120.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -90.83 116.74 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.788 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.493 ' CD1' HG11 ' B' ' 56' ' ' VAL . 80.8 mt -80.51 -23.48 40.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.68 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.49 70.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.916 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.7 m -77.29 -43.91 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.66 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -134.63 115.04 13.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.69 -9.98 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.064 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.03 65.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.311 0.577 . . . . 0.0 109.861 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -72.56 -20.62 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.403 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.81 -34.8 79.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.27 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.55 -50.16 73.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.53 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.28 90.53 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.5 -46.02 91.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 96.0 mttt -64.82 -38.0 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.63 -32.57 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.303 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.02 9.26 10.87 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.681 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.62 104.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -87.78 -43.93 11.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.494 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.636 ' O ' ' HD2' ' B' ' 67' ' ' HIS . 22.1 m -103.48 111.31 23.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.737 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 0.0 OUTLIER -76.2 -154.04 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.033 -177.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.737 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.0 OUTLIER 11.38 91.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.664 2.243 . . . . 0.0 113.882 -136.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.554 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -146.75 162.89 37.61 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.785 -172.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.591 ' HB2' HD12 ' B' ' 68' ' ' ILE . 61.6 tp -114.73 116.94 29.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.394 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.1 t -95.38 99.77 9.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.954 0.407 . . . . 0.0 110.46 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.47 92.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.88 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.41 75.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.071 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.08 -31.05 3.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.476 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.27 111.74 23.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.999 0.4 . . . . 0.0 110.897 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.99 107.22 19.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.007 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -94.49 106.15 18.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.947 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.636 ' HD2' ' O ' ' B' ' 55' ' ' SER . 50.6 m80 -63.64 111.39 2.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.574 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.591 HD12 ' HB2' ' B' ' 59' ' ' LEU . 60.0 mt -80.75 100.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.448 ' ND2' HG21 ' B' ' 68' ' ' ILE . 19.6 m-80 58.69 -150.71 0.43 Allowed 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -110.25 80.62 1.33 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 165.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.688 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -65.09 -66.15 2.59 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.65 -0.785 . . . . 0.0 111.222 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' B' ' 57' ' ' PRO . . . -139.47 177.41 7.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 172.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.78 141.4 12.38 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.727 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mm -59.37 -40.55 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.32 -35.07 71.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.774 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.27 -35.47 25.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.035 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -72.64 -24.27 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' B' ' 78' ' ' LYS . 3.0 mmpt? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.004 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -93.22 162.75 13.89 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' CB ' ' HB ' ' A' ' 32' ' ' THR . 64.8 pttt -90.59 140.68 29.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.616 0.722 . . . . 0.0 111.986 -173.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.46 123.61 45.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.93 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.729 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 50.6 mm -95.35 110.99 25.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.205 -173.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' HD2' HG21 ' A' ' 35' ' ' ILE . 55.2 t80 -87.42 93.29 9.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.643 ' CE1' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -97.17 124.02 41.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.624 -173.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.717 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 12.3 p80 -148.38 177.47 9.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.791 0.329 . . . . 0.0 110.839 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.35 17.47 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.28 5.71 61.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.9 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -63.49 129.75 93.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.81 -25.01 19.85 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 123.551 2.834 . . . . 0.0 113.953 -172.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG22 ' HD3' ' A' ' 57' ' ' PRO . 29.3 m -69.13 -14.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.48 -17.26 32.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.635 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.06 -55.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -69.67 -35.57 75.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.34 79.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 32.8 tt0 -68.72 -38.66 80.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.262 177.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -78.56 -8.18 58.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.622 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.06 -66.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.73 0.3 . . . . 0.0 111.642 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.7 -48.31 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.68 -8.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.794 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -88.2 -33.36 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.483 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -64.6 -51.44 62.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.519 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.9 mt -88.17 109.65 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.14 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 29' ' ' SER . 4.6 p-10 -94.39 155.87 39.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 20.1 Cg_exo -67.23 -4.84 12.43 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.271 2.648 . . . . 0.0 114.008 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.434 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 39.2 m -82.21 -38.08 25.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.451 . . . . 0.0 110.12 176.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -79.56 -49.0 12.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 72.4 m-85 -133.63 151.93 51.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 4' ' ' LYS . 2.5 m -75.48 89.5 2.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.925 0.393 . . . . 0.0 110.01 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.73 102.69 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.014 0.435 . . . . 0.0 110.701 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -107.79 117.62 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.416 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.523 HG21 ' HD2' ' A' ' 7' ' ' PHE . 63.7 mt -92.05 123.51 44.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.915 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.08 139.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.504 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -113.57 123.71 50.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.643 ' HG ' ' CE1' ' A' ' 8' ' ' TYR . 18.5 mt -82.38 -27.87 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 4.28 21.45 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.738 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 m -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.656 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -153.29 106.52 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HA ' HG12 ' A' ' 45' ' ' ILE . 53.8 mtmt -89.25 2.89 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.296 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 -29.06 65.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.3 mtm105 -85.15 6.44 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.074 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.605 HG12 ' HA ' ' A' ' 42' ' ' LYS . 34.9 mm -64.45 -42.88 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 173.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . . . -67.14 -30.42 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.418 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.662 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -65.5 -35.52 81.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.419 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' A' ' 46' ' ' ALA . 40.6 mt-10 -59.27 -38.78 80.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.215 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -64.8 -45.5 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.6 -18.76 62.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.02 25.68 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.898 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 61.9 t -80.16 106.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.069 0.462 . . . . 0.0 110.035 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -96.4 -22.69 17.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 51.1 m -152.14 160.24 43.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.291 178.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.717 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 24.2 m -120.12 144.41 37.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.351 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 90.7 Cg_endo -80.95 155.99 83.96 Favored 'Cis proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.284 -1.548 . . . . 0.0 113.047 2.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -139.44 131.86 28.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.978 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.0 tp -96.78 102.91 14.78 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.729 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 36.3 t -85.25 96.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.337 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.5 mt -93.21 102.21 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.312 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 65.62 2.82 2.19 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.561 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.64 -30.69 2.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.459 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 120.48 26.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.689 0.28 . . . . 0.0 110.507 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -91.03 110.64 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.938 0.399 . . . . 0.0 110.977 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.67 106.74 18.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.019 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HD2' ' O ' ' A' ' 55' ' ' SER . 51.1 m80 -69.99 137.52 51.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.569 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 54.6 mt -108.41 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.631 HD22 ' HD1' ' B' ' 66' ' ' PHE . 89.1 m-20 67.17 -175.59 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.803 -178.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.91 105.71 15.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.14 -79.36 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.933 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.19 119.85 14.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.62 149.67 45.41 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.642 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.0 -27.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 110.919 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.19 -37.79 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 111.518 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -78.03 -15.57 58.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.84 -28.88 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.311 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 -178.247 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.729 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 40.9 m -76.15 138.06 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.406 ' HE2' HD11 ' B' ' 6' ' ' ILE . 79.0 tttt -87.06 108.96 19.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 111.445 -173.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.45 105.03 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.683 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 45.8 mm -95.3 123.29 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.505 ' HD2' HG21 ' B' ' 35' ' ' ILE . 81.8 t80 -104.09 104.42 14.36 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.47 127.28 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.242 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . 0.864 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 12.6 p80 -141.5 -179.97 6.46 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.707 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.74 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.523 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -15.72 52.42 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.181 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.44 149.48 28.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 122.574 0.35 . . . . 0.0 111.285 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.54 -25.65 50.59 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.887 2.391 . . . . 0.0 112.884 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.98 -33.62 53.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.5 m -63.58 -42.71 98.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.906 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.65 -48.59 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -60.77 -40.29 91.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.983 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.92 72.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' B' ' 23' ' ' ALA . 30.3 tt0 -66.68 -49.4 66.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -67.26 -28.69 68.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.72 -71.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.63 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.7 t -66.91 -52.07 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.678 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 19' ' ' GLU . . . -72.74 -5.03 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.83 -175.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -108.67 -12.68 14.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.45 0.643 . . . . 0.0 110.031 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.68 -27.5 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.513 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.36 137.39 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.633 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.485 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 10.5 t70 -80.07 120.2 78.96 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -24.31 79.16 Favored 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.185 2.59 . . . . 0.0 113.294 -177.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.8 m -94.07 -15.35 24.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.21 0.528 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.485 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 84.2 tttt -86.53 -46.06 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.733 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.596 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 72.1 m-85 -135.17 137.09 42.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.201 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -78.38 105.35 9.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.76 137.18 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.649 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HB3' HD12 ' B' ' 6' ' ' ILE . 36.2 tt0 -138.87 121.99 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.505 HG21 ' HD2' ' B' ' 7' ' ' PHE . 67.1 mt -95.36 125.41 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.486 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.69 115.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.931 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.492 ' HD2' HG21 ' B' ' 40' ' ' THR . 37.6 t60 -89.23 112.45 23.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.818 178.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.512 HD13 ' CG1' ' B' ' 56' ' ' VAL . 58.9 mt -85.55 2.25 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.59 73.32 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.065 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.492 HG21 ' HD2' ' B' ' 37' ' ' HIS . 1.7 p -83.46 -75.13 0.34 Allowed 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.069 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' B' ' 44' ' ' ARG . 2.2 m-20 -85.16 105.17 15.67 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.718 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' B' ' 45' ' ' ILE . 86.0 tttt -65.78 -24.09 66.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 0.0 109.98 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -26.66 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.38 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' B' ' 41' ' ' ASP . 82.1 mmt-85 -71.75 -26.1 62.32 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.41 HD13 ' HG3' ' B' ' 42' ' ' LYS . 73.9 mt -58.64 -42.94 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.08 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.821 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.12 -36.97 80.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.99 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.265 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.11 -39.71 94.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.549 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.85 -35.31 80.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.717 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.74 66.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.324 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.79 18.03 5.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.271 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.07 106.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.504 ' HB2' ' CE1' ' B' ' 67' ' ' HIS . 46.9 mttm -88.12 -22.92 23.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.9 m -151.71 150.58 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.551 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.573 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 5.6 m -84.88 -163.34 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.532 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.692 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.864 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.0 OUTLIER 11.18 91.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.625 2.883 . . . . 0.0 114.395 -135.233 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.93 163.91 37.58 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.113 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' B' ' 68' ' ' ILE . 55.5 tp -118.59 119.53 34.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.077 0.465 . . . . 0.0 110.517 -178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.683 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 59.9 t -102.75 109.5 26.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.406 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.54 96.16 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.729 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 12.8 t70 59.11 24.6 12.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.488 173.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.1 -31.99 3.54 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.858 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 111.76 20.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.38 . . . . 0.0 110.925 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.27 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.752 -175.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.631 ' HD1' HD22 ' A' ' 69' ' ' ASN . 89.8 m-85 -113.24 128.49 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.92 176.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' B' ' 54' ' ' LYS . 35.7 m80 -78.15 135.7 37.7 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.072 -175.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.699 HD13 ' HB2' ' B' ' 59' ' ' LEU . 63.1 mt -103.65 101.86 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 61.05 -159.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -172.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -106.87 88.85 2.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -68.39 -90.18 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 177.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.569 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 142.79 36.44 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.884 172.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.93 137.15 25.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.1 -1.048 . . . . 0.0 111.309 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 tt -68.55 -24.28 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.516 0.674 . . . . 0.0 109.903 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.55 -27.96 51.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.162 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.52 -32.42 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.36 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.42 -35.96 72.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.269 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.518 175.86 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.694 0.283 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.51 174.95 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.975 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -76.58 163.47 26.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.708 0.289 . . . . 0.0 110.353 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HD3' HD12 ' A' ' 6' ' ' ILE . 24.1 ttmm -106.36 126.03 51.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.105 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.66 100.21 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.857 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 4' ' ' LYS . 15.4 mt -95.35 122.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.151 -176.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -107.08 103.37 12.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.789 0.328 . . . . 0.0 110.668 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.66 130.21 41.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 17.0 p80 -160.17 159.37 31.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 173.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.82 13.64 34.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.55 13.92 77.22 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 29.4 m -67.14 152.14 96.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.85 -46.76 28.66 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.849 2.366 . . . . 0.0 112.403 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -62.32 -35.02 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.736 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 59.2 m -67.91 -41.45 82.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.438 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.3 -39.46 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -60.65 -44.67 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.55 -38.52 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.17 -50.92 64.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 0.0 110.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.08 -36.58 84.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.749 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.24 -68.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.729 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.73 -50.48 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.813 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.8 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 111.763 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.75 -17.35 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.357 . . . . 0.0 110.805 176.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.2 -21.68 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -79.85 129.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.933 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.49 133.92 33.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.331 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 21.7 Cg_exo -66.25 -5.03 11.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.046 2.498 . . . . 0.0 112.499 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -72.8 -47.87 42.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.209 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -89.1 -43.87 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 61.2 m-85 -126.42 122.5 35.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 111.444 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.9 m -80.32 106.15 12.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.589 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -80.88 107.41 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.923 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 36.1 mt-10 -104.19 95.43 5.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.02 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.36 127.71 39.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.88 113.74 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.115 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -83.73 119.37 24.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.52 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -101.57 10.43 40.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.05 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.61 25.02 25.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.282 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.66 -51.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.101 0.477 . . . . 0.0 110.051 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' CG ' ' HG3' ' A' ' 44' ' ' ARG . 12.8 t0 -84.61 108.51 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.88 -4.41 58.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.086 0.47 . . . . 0.0 111.297 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.16 -30.23 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.238 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HG3' ' CG ' ' A' ' 41' ' ' ASP . 57.4 mtt180 -74.1 -11.91 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.058 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 67.7 mt -60.43 -39.53 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.28 70.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.864 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.29 -43.11 61.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.914 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -57.88 -43.02 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.425 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 41.6 mt-10 -51.29 -45.47 62.17 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.419 0.628 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -84.99 -25.68 27.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.207 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -23.48 63.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.7 5.55 27.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.85 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 54.3 t -82.03 102.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.188 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -109.27 -5.85 15.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.263 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.578 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.6 m -151.92 167.43 28.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.755 174.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.01 141.67 42.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.736 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.0 Cg_endo -85.03 148.83 49.46 Favored 'Cis proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.098 -1.626 . . . . 0.0 113.068 1.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.71 126.8 47.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.964 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.68 101.42 12.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.065 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.3 t -84.2 102.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -110.92 115.88 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.962 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.24 25.49 15.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.006 0.432 . . . . 0.0 111.244 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.23 -19.93 52.06 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.3 112.47 21.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -86.47 103.46 15.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.65 104.95 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.881 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -76.91 95.33 4.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.495 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -88.16 111.53 22.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.984 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 66.19 102.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.795 0.684 . . . . 0.0 111.124 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -71.62 101.69 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.894 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.6 -55.51 1.15 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.4 47.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.578 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -99.08 171.75 24.86 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -69.62 -24.45 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -30.85 71.0 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.113 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -71.03 -23.18 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.21 -18.96 22.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.401 0.62 . . . . 0.0 109.812 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -90.77 88.62 7.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.84 -75.12 0.97 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.493 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.874 177.665 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.591 0.234 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.88 40.23 1.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.712 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.7 152.18 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -89.55 145.75 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.384 0.611 . . . . 0.0 111.654 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.05 119.61 39.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.417 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.91 109.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.817 0.341 . . . . 0.0 110.489 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.47 ' HE1' HD12 ' B' ' 68' ' ' ILE . 87.8 t80 -100.46 111.98 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.434 ' CD1' HG23 ' B' ' 53' ' ' VAL . 54.6 m-85 -94.95 131.59 40.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.097 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.723 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 7.6 p80 -142.82 173.52 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.349 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.3 17.78 3.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.425 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.42 67.51 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.061 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.495 ' N ' ' HG ' ' B' ' 15' ' ' CYS . 19.1 m -59.02 153.55 44.22 Favored Pre-proline 0 C--N 1.328 -0.368 0 C-N-CA 122.343 0.257 . . . . 0.0 110.83 178.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.71 -38.02 65.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.065 2.51 . . . . 0.0 113.029 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.06 -28.49 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.383 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.594 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 14.3 m -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.065 0.46 . . . . 0.0 109.977 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 21.9 t -62.77 -48.98 85.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.532 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -57.43 -47.01 82.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.85 91.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' B' ' 23' ' ' ALA . 28.1 tt0 -67.58 -40.19 84.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.883 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 25.8 mt-30 -65.34 -53.93 36.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.279 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.69 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.65 -43.63 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.848 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' B' ' 19' ' ' GLU . . . -73.1 -10.0 59.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -102.42 -24.12 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.724 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.11 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.456 0.646 . . . . 0.0 109.724 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.4 mt -102.58 82.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.585 ' OD1' ' HE2' ' B' ' 30' ' ' LYS . 5.9 p-10 -78.4 153.01 79.0 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.119 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 39.4 Cg_exo -62.41 -9.98 17.32 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.79 2.993 . . . . 0.0 114.358 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.468 ' HB3' ' OD2' ' B' ' 27' ' ' ASP . 22.9 t -71.43 -24.46 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.526 0.679 . . . . 0.0 109.254 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.585 ' HE2' ' OD1' ' B' ' 27' ' ' ASP . 45.7 mtmt -102.32 -55.41 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.562 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 92.1 m-85 -137.0 120.97 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.866 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.5 m -68.59 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.553 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.61 119.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.6 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.38 111.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.913 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.33 113.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.469 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -100.33 111.18 23.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.5 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.83 -13.27 61.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.096 0.474 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.49 -26.24 74.71 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.556 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 27.0 m -86.22 -49.48 7.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.598 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' B' ' 44' ' ' ARG . 28.5 t70 -117.05 109.5 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.338 -177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -86.3 -24.49 25.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.0 3.78 7.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.002 0.43 . . . . 0.0 111.143 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.505 ' HB2' ' OD2' ' B' ' 41' ' ' ASP . 3.4 ttm180 -92.44 -0.53 57.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 72.9 mt -58.36 -42.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 175.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.81 73.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.266 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.57 -45.81 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.94 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.48 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -56.69 -43.78 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 53.3 mt-10 -53.45 -51.92 61.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -72.07 -22.61 61.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.431 -175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.25 -23.0 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.584 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.77 7.78 33.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.75 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.48 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 48.7 t -81.1 105.0 10.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.552 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.16 -17.06 24.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -151.22 151.18 31.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.626 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.2 m -74.52 -167.74 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.723 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 9.8 Cg_exo 11.14 84.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.442 0 C-N-CA 123.79 2.993 . . . . 0.0 114.581 -138.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.42 155.09 34.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.112 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.506 HD22 HD13 ' B' ' 68' ' ' ILE . 2.4 pt? -130.19 137.53 50.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.198 0.523 . . . . 0.0 111.214 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.9 t -100.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.254 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -104.79 111.29 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.595 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.95 8.84 3.37 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.146 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.56 -25.64 5.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.101 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.69 120.87 28.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.746 0.308 . . . . 0.0 110.624 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.51 124.27 34.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.311 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -117.89 123.03 44.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.336 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.445 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 70.5 m80 -87.77 120.55 29.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.364 -177.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.506 HD13 HD22 ' B' ' 59' ' ' LEU . 56.0 mt -86.57 97.91 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t30 67.15 12.67 9.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.909 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 58.23 84.72 0.1 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.175 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.2 -87.53 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.119 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.541 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.66 137.09 34.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.63 140.03 48.21 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.389 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.88 -27.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.081 0.467 . . . . 0.0 110.572 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 15.7 t70 -84.34 -3.65 58.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.71 -25.86 37.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.193 0.52 . . . . 0.0 110.068 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.11 -3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.857 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 29.5 tttm -120.52 146.13 46.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.758 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.36 -121.13 3.37 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 172.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.841 -0.599 . . . . 0.0 109.675 175.731 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.852 0.358 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -134.75 105.82 6.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.475 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 15.2 m -78.44 -171.57 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' HG3' ' HB ' ' A' ' 32' ' ' THR . 77.0 tttt -115.22 150.48 36.07 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.383 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -139.14 111.27 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.869 0.366 . . . . 0.0 110.488 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.643 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 42.7 mm -97.07 122.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.107 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' HD2' HG22 ' A' ' 35' ' ' ILE . 54.7 t80 -107.23 102.0 11.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.405 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 61.7 m-85 -92.15 131.62 37.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.341 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.716 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.9 p80 -157.25 167.82 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.669 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 12.03 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.713 0.292 . . . . 0.0 111.745 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.13 6.48 84.58 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.055 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.9 m -72.06 151.24 92.66 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.602 0.201 . . . . 0.0 110.552 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.17 -41.25 73.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.62 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.206 0.527 . . . . 0.0 110.534 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.694 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 56.9 m -70.33 -42.06 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.16 -37.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -60.92 -46.78 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.604 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.02 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 30.4 tt0 -64.77 -55.3 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.72 -8.09 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -62.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.587 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.79 -44.29 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.144 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -78.32 0.2 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.701 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -97.91 -27.04 14.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.538 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -76.8 -32.41 57.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.528 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.84 128.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.884 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -85.61 132.27 45.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.54 -19.58 68.16 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.964 2.443 . . . . 0.0 113.08 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -98.7 7.35 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.18 0.514 . . . . 0.0 110.411 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 58.3 tttp -113.65 -37.86 4.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 57.8 m-85 -135.07 141.94 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.57 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 4' ' ' LYS . 6.9 m -84.52 95.4 8.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.441 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 48.5 t -88.95 116.38 30.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -172.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -117.85 113.65 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.646 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 HG22 ' HD2' ' A' ' 7' ' ' PHE . 70.3 mt -89.39 128.41 41.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.159 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.9 t -117.5 116.74 52.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -85.07 110.27 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.437 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD12 HG13 ' A' ' 56' ' ' VAL . 91.4 mt -85.61 -1.29 56.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.29 -28.96 21.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.059 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 m -75.05 -55.36 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 110.793 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -115.68 138.07 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.608 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.34 -19.28 25.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.595 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.15 63.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.075 0.464 . . . . 0.0 110.525 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -67.75 -22.01 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -66.31 -32.62 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.6 93.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.53 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.75 -46.12 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.22 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.57 -46.89 87.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.19 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.51 -46.05 91.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.19 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -75.81 -12.25 60.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.2 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.25 -18.83 24.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.1 11.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.434 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.7 t -82.76 126.21 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.308 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -101.09 -39.44 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.02 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -145.44 169.59 18.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 -173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.716 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.9 m -129.57 151.51 78.12 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.01 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.694 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 65.1 Cg_endo -74.67 140.28 66.44 Favored 'Cis proline' 0 C--O 1.234 0.317 0 C-N-CA 123.067 -1.639 . . . . 0.0 113.029 2.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -112.81 145.66 40.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 tp -123.2 101.98 7.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.904 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.643 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 48.7 t -85.15 99.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.854 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.83 98.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.7 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 59.95 19.6 8.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.972 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.6 -12.08 9.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.725 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.83 125.75 41.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.613 -0.345 . . . . 0.0 110.222 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.25 104.48 17.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.019 0.438 . . . . 0.0 111.518 -174.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -106.05 164.16 12.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -128.93 142.68 50.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.725 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.4 mt -131.92 100.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.368 0.417 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 67.11 121.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.705 0.802 . . . . 0.0 112.025 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -73.46 95.23 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.49 -51.38 2.19 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . . . -139.28 154.88 48.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.315 -0.443 . . . . 0.0 109.87 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -119.1 143.98 17.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.726 -178.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' HA ' HD11 ' A' ' 77' ' ' LEU . 17.4 tt -63.45 -28.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 110.802 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -35.28 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.624 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.11 -34.36 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.257 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 85.0 mt -55.14 -48.99 72.93 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.625 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -71.97 111.75 7.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 121.96 -4.12 10.65 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 -172.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.095 178.227 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.877 0.37 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.15 82.01 2.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -56.01 149.14 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.87 119.73 31.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.081 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.97 123.81 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.78 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -103.86 119.24 52.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.07 0.462 . . . . 0.0 110.571 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' B' ' 9' ' ' HIS . 87.1 t80 -95.3 122.52 38.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.348 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -105.96 124.15 49.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.469 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.94 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 5.9 p80 -135.62 172.04 13.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.408 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.9 0.31 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.598 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.0 -3.22 87.12 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.713 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 p -74.94 161.59 76.96 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.927 -0.161 . . . . 0.0 110.682 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.94 -31.18 26.29 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.34 2.694 . . . . 0.0 113.466 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.06 -29.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.464 . . . . 0.0 110.846 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 39.6 m -68.47 -32.45 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.0 -48.37 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -58.42 -47.11 85.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.06 81.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.201 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.68 -57.53 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -67.29 -31.3 71.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.061 -172.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.84 -64.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.979 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.07 -46.1 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -4.15 31.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.719 0.295 . . . . 0.0 111.61 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -110.95 -16.6 13.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.848 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.585 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.21 -46.4 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.136 0.493 . . . . 0.0 109.953 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.84 111.71 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 11.1 t70 -68.8 126.82 93.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.237 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 23.5 Cg_exo -65.19 -15.46 50.31 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.164 2.576 . . . . 0.0 113.176 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.76 -15.57 34.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.406 0.622 . . . . 0.0 109.526 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -99.35 -36.08 9.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.169 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.538 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 97.5 m-85 -136.69 160.05 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.232 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 38.3 m -95.81 105.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.537 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.8 111.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.625 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -108.1 123.07 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' B' ' 7' ' ' PHE . 64.6 mt -102.08 127.41 55.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 -175.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.96 132.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.9 114.45 23.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.074 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.6 tp -109.73 13.97 23.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.465 0.65 . . . . 0.0 110.188 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 30.84 8.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.277 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.6 m -153.89 -53.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.811 -0.229 . . . . 0.0 111.141 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.49 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 33.4 m-20 -88.0 110.48 20.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -68.52 -21.76 64.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.64 67.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.188 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 69.6 mtt-85 -80.72 -14.98 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.258 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 74.1 mt -65.15 -38.08 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.795 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.25 -36.93 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.401 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.609 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 39.3 mt-10 -69.56 -39.15 77.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.349 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.2 -37.7 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.736 177.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 31.1 mt-10 -73.96 -13.45 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.609 ' HD2' ' HA ' ' B' ' 47' ' ' GLU . 65.7 mttm -78.12 -42.46 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.77 48.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.17 26.7 6.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.29 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.9 t -76.14 127.34 37.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -106.21 -16.67 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.683 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.3 m -152.11 147.95 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.599 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.594 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.0 m -80.41 -169.74 0.22 Allowed Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.94 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.3 Cg_exo 14.69 84.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.505 0 C-N-CA 123.544 2.829 . . . . 0.0 114.44 -135.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.625 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -149.55 161.07 42.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.639 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 61.1 tp -125.57 114.74 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.967 0.413 . . . . 0.0 110.721 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.92 102.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.928 0.394 . . . . 0.0 110.461 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.3 mt -93.34 98.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.358 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 46.85 75.04 0.13 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.795 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.94 -41.71 3.08 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.555 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.33 114.8 22.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 107.28 17.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.198 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.56 100.74 11.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.073 0.463 . . . . 0.0 109.996 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.513 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.6 m80 -70.82 137.91 49.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.625 HG13 ' HA ' ' B' ' 58' ' ' ALA . 9.5 mt -95.88 -175.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -28.0 117.4 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.385 0.428 . . . . 0.0 110.614 167.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -44.47 105.74 0.06 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 124.372 1.045 . . . . 0.0 112.257 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.83 -89.13 0.63 Allowed Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.927 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.99 140.24 36.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.021 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.63 143.57 40.58 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.51 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.0 tt -65.33 -25.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.351 0.596 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.05 -31.61 68.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.325 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.87 -27.56 61.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.273 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.56 -15.34 60.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.17 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.14 96.79 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.79 -28.43 9.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.776 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 119.143 -0.455 . . . . 0.0 110.512 -179.431 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.599 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -95.66 155.39 16.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.519 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 67.4 m -151.59 171.43 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.96 0.409 . . . . 0.0 111.193 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.44 136.18 51.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 31' ' ' TYR . . . -142.44 120.44 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.324 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 32.4 mt -120.34 135.18 61.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.252 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HD1' ' HD2' ' A' ' 9' ' ' HIS . 22.2 t80 -119.05 106.18 12.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.21 126.01 40.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.08 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.6 p80 -161.92 172.92 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.35 7.11 13.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.66 15.06 60.41 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.337 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' ' 16' ' ' VAL . 14.4 m -66.24 147.33 98.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.21 -27.2 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.48 -45.26 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 19.5 p -80.75 -16.56 53.54 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.371 -175.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 12' ' ' CYS . 95.6 t -58.7 -46.06 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.198 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -61.75 -33.51 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.76 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -38.79 67.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.741 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 38.9 tt0 -67.58 -24.09 65.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.521 . . . . 0.0 110.072 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.12 -57.31 3.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.72 -66.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.43 -39.98 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.44 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -77.06 1.45 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.95 -9.34 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.392 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.64 35.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.32 101.26 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.789 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.47 164.77 14.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.953 -174.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 37.7 Cg_exo -62.33 -8.86 13.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.559 2.839 . . . . 0.0 114.921 -173.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -74.54 -22.97 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.288 0.566 . . . . 0.0 110.045 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 30.0 mtpp -110.68 -46.49 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 96.1 m-85 -134.18 143.02 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.331 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -84.15 91.16 7.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -80.55 110.91 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.562 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.17 118.44 36.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.48 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -80.54 128.82 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.346 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.81 111.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 0.0 110.366 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -88.34 116.96 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.113 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.1 mt -92.06 1.31 57.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.47 -55.98 3.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.456 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.5 m -71.13 -40.61 71.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 0.0 110.773 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.11 97.27 7.11 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.26 -7.24 59.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.356 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.89 -23.23 55.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 109.84 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -73.55 -10.21 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.756 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.93 -31.98 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.65 77.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.117 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.31 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -63.45 -54.99 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.761 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.09 -29.45 70.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.985 0.421 . . . . 0.0 110.624 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.89 -37.43 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.542 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 -24.96 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.167 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.81 4.62 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.611 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 89.4 t -70.05 114.13 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -112.24 -10.81 13.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.666 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -145.3 159.43 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.702 0.287 . . . . 0.0 110.508 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.57 145.39 42.74 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.076 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.701 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 98.4 Cg_endo -79.79 158.29 88.6 Favored 'Cis proline' 0 C--N 1.344 0.314 0 C-N-CA 123.236 -1.568 . . . . 0.0 112.742 -0.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.65 121.78 31.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -99.9 108.61 20.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.782 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 47.5 t -96.92 106.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.946 0.403 . . . . 0.0 110.67 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.4 mt -96.36 105.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.538 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 65.39 -74.62 0.05 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 111.309 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 9.05 1.81 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.109 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.39 115.17 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.753 0.311 . . . . 0.0 110.513 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.57 114.33 26.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.462 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.5 m-85 -106.65 115.13 29.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.013 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.04 111.73 10.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.987 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.701 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 51.5 mt -74.45 93.54 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 66.57 169.92 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.097 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -100.16 90.36 4.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.49 -69.14 1.39 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.571 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.4 130.13 26.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.572 0.225 . . . . 0.0 110.491 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.52 144.65 30.7 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.244 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 13.1 tt -72.31 -15.96 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.159 0.504 . . . . 0.0 110.85 -175.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -80.3 -22.63 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 109.805 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.79 -30.6 32.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.389 175.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.67 -24.6 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.458 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 65.3 mttp -66.15 -38.01 87.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.57 -107.15 2.12 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.608 -175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.587 -0.72 . . . . 0.0 109.577 176.818 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.89 87.92 1.81 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.024 0.44 . . . . 0.0 111.295 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -82.57 168.99 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.658 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.481 ' HA ' ' HB ' ' B' ' 32' ' ' THR . 83.1 tttt -93.79 126.12 38.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.0 111.326 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.97 116.09 22.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.758 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.421 HD11 ' HE2' ' B' ' 4' ' ' LYS . 50.5 mt -104.44 127.67 58.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.45 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.481 ' HD2' HG23 ' B' ' 35' ' ' ILE . 80.9 t80 -104.76 128.18 52.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -113.1 133.38 55.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.739 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 27.1 p80 -149.94 176.37 10.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.209 -0.197 . . . . 0.0 110.749 174.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 12.69 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.06 0.71 80.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.812 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.404 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 50.2 m -61.67 159.1 36.41 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.878 0.339 . . . . 0.0 110.563 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 9.5 Cg_endo -53.69 -37.59 84.04 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.757 2.304 . . . . 0.0 112.108 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.34 -31.94 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.603 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 50.0 m -65.52 -43.88 88.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.04 -45.29 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 27.0 t -64.87 -42.62 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.075 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.6 86.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.305 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 15' ' ' CYS . 50.7 mt-10 -65.27 -53.96 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.0 -69.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.532 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.17 -49.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -7.19 47.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.727 0.299 . . . . 0.0 111.549 -176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -109.97 -9.92 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.0 110.729 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -42.21 50.07 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.18 113.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.474 ' HB2' ' HD2' ' A' ' 30' ' ' LYS . 9.9 t70 -73.13 136.75 79.07 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.15 -172.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.01 -20.03 68.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.126 2.551 . . . . 0.0 112.666 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -97.19 2.75 51.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 110.285 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -106.2 -41.84 5.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -140.92 161.24 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.607 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' B' ' 4' ' ' LYS . 23.5 m -85.63 95.47 9.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.8 117.51 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -119.48 119.44 33.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.229 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.17 121.51 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.64 120.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 110.951 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -84.33 108.45 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.314 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.696 HD13 HG13 ' B' ' 56' ' ' VAL . 86.6 mt -79.74 -24.1 41.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 111.086 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 45.34 3.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.268 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 86.4 m -141.06 -52.59 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 110.469 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.586 ' HB3' ' HG3' ' B' ' 44' ' ' ARG . 11.8 t70 -115.38 131.85 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.59 -26.71 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.53 -22.5 57.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.586 ' HG3' ' HB3' ' B' ' 41' ' ' ASP . 1.4 mmp_? -62.55 -33.0 74.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.48 -48.58 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.812 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.13 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.518 ' OE2' ' HA ' ' B' ' 44' ' ' ARG . 39.5 mt-10 -62.85 -44.59 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.403 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.32 -40.05 89.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.532 0.206 . . . . 0.0 111.08 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.84 -29.37 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 111.164 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.52 -10.45 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.23 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.59 1.1 34.8 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.275 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.33 108.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.09 0.471 . . . . 0.0 110.368 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -101.13 -12.32 18.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.484 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.6 m -143.39 145.28 32.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.631 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.696 HG13 HD13 ' B' ' 38' ' ' LEU . 14.2 m -76.47 -171.23 0.24 Allowed Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.739 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 2.3 Cg_exo 12.97 93.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 123.657 2.905 . . . . 0.0 114.757 -133.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.24 151.03 37.74 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.253 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 tp -122.86 119.54 30.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.427 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.35 105.44 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -100.31 105.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.09 23.09 11.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.546 0.689 . . . . 0.0 111.349 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.13 -25.54 9.86 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.382 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.57 112.31 19.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.679 0.276 . . . . 0.0 110.462 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.94 111.72 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.076 0.465 . . . . 0.0 111.638 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -113.36 111.98 22.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.555 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.7 m80 -65.51 129.2 38.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.0 mm -94.65 96.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.082 0.468 . . . . 0.0 110.155 -175.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 4.6 t-20 67.3 -174.1 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.356 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -90.84 93.43 9.22 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.87 -103.68 0.48 Allowed Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.872 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.585 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -140.29 159.0 43.16 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.012 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.66 123.06 6.53 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.477 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 tt -65.72 -19.72 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 121.425 0.631 . . . . 0.0 110.52 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.499 ' HA ' ' HZ3' ' B' ' 78' ' ' LYS . 28.7 t70 -69.67 -23.82 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.713 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.96 -23.38 66.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.414 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.72 -8.35 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.499 ' HZ3' ' HA ' ' B' ' 75' ' ' ASP . 54.5 mttp -90.05 -4.22 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.057 0.456 . . . . 0.0 110.083 175.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.69 -99.14 1.61 Allowed Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.249 1.033 0 CA-C-O 119.133 -0.46 . . . . 0.0 110.189 177.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.59 81.11 8.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.227 0.537 . . . . 0.0 110.752 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -89.32 -174.45 4.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HE3' HD12 ' A' ' 6' ' ' ILE . 65.2 pttt -125.42 165.0 19.21 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.833 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -130.44 113.29 14.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.701 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 HD12 ' HE3' ' A' ' 4' ' ' LYS . 29.9 mt -95.91 119.84 44.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 110.336 -175.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.585 ' HD1' ' HG ' ' A' ' 59' ' ' LEU . 47.5 t80 -102.28 103.0 13.45 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.987 -176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.83 126.8 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.961 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 17.7 p80 -154.3 -179.56 8.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.61 0.243 . . . . 0.0 110.774 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 18.69 10.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.682 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.65 3.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.823 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -113.64 146.6 35.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.37 -35.92 98.86 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.022 2.481 . . . . 0.0 112.393 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.23 -38.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.288 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 17.5 m -67.15 -45.5 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.083 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.33 -37.39 63.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 m -62.3 -38.28 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.359 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.8 67.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.899 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 15' ' ' CYS . 57.7 mt-10 -65.93 -39.8 90.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.55 -28.95 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.97 -71.1 0.72 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.75 -47.91 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.538 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -11.45 60.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.555 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.73 -7.57 20.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.057 0.456 . . . . 0.0 110.75 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.45 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.88 116.21 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.895 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.9 t70 -70.99 132.09 86.85 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 39.1 Cg_exo -58.37 -37.65 94.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.447 2.765 . . . . 0.0 113.763 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -85.76 1.52 49.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.284 0.564 . . . . 0.0 110.855 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -96.15 -53.42 3.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -137.01 121.82 18.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.093 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.4 m -71.26 108.87 4.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.941 0.4 . . . . 0.0 111.188 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.3 t -83.11 123.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.89 115.2 29.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 7' ' ' PHE . 45.3 mm -87.39 117.92 32.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.09 126.05 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 0.0 111.239 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -96.25 107.86 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.039 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.22 -10.38 59.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.534 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.37 -23.42 68.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.299 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -93.2 -14.13 27.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.017 0.437 . . . . 0.0 110.99 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 12.1 t70 -137.61 113.26 9.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.857 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HA ' HG13 ' A' ' 45' ' ' ILE . 99.1 mttt -89.12 -9.25 51.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.426 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.45 -37.62 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.077 0.465 . . . . 0.0 109.918 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HG3' ' OD1' ' A' ' 41' ' ' ASP . 55.1 mtt180 -68.73 -17.55 64.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.879 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 74' ' ' ILE . 60.4 mt -60.2 -42.73 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.294 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.32 88.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.19 -43.08 92.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.352 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.04 -41.04 99.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 49.2 mt-10 -58.62 -48.9 79.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.958 177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.33 -35.0 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.984 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.18 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.94 32.81 0.97 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.304 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.425 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 63.7 t -96.99 110.67 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -106.14 -17.27 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.198 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.418 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 19.7 m -143.26 156.69 44.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.499 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.5 m -122.89 145.82 46.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.968 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' ' 68' ' ' ILE . 95.4 Cg_endo -80.77 151.93 81.4 Favored 'Cis proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.11 -1.621 . . . . 0.0 113.135 1.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -125.69 130.92 52.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.036 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HG ' ' HD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -105.27 107.89 19.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.149 0.499 . . . . 0.0 109.994 -178.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 5' ' ' ALA . 48.0 t -88.48 94.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.363 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 39.5 mt -91.8 121.08 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 4.2 m-20 71.03 -53.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.812 0.695 . . . . 0.0 110.909 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.55 -21.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.299 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.83 137.49 32.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.973 0.386 . . . . 0.0 110.461 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.83 107.13 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.924 0.393 . . . . 0.0 111.455 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.1 114.77 29.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.856 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 69.2 m80 -72.14 148.12 45.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.47 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.568 HD11 HD13 ' A' ' 59' ' ' LEU . 64.0 mt -119.42 103.14 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 92.5 m-20 66.62 -178.7 0.2 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.612 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -123.47 90.52 3.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.56 -62.32 1.64 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 152.21 46.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.0 163.24 26.67 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.327 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.494 HD12 HG23 ' A' ' 45' ' ' ILE . 10.8 tp -73.69 -26.6 21.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 109.914 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.09 -33.41 44.46 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.272 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.13 -17.86 58.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.107 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.6 tp -69.15 -34.38 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.77 88.61 6.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.78 161.33 26.99 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.061 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.289 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' B' ' 31' ' ' TYR . . . -72.75 95.98 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.048 0.451 . . . . 0.0 110.457 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.705 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 44.2 m -80.06 167.92 19.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.029 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.458 ' HG3' ' OE2' ' B' ' 34' ' ' GLU . 59.8 tttp -83.67 88.91 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.4 104.65 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.852 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.405 HD12 ' HE3' ' B' ' 4' ' ' LYS . 42.3 mt -96.96 117.85 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -176.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.474 ' HE1' HD12 ' B' ' 68' ' ' ILE . 88.1 t80 -98.64 119.58 37.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.007 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.495 ' HB3' HD11 ' B' ' 38' ' ' LEU . 91.5 m-85 -102.17 122.74 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 10.1 p80 -142.5 173.25 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.09 19.57 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.727 0.299 . . . . 0.0 111.212 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.27 64.6 2.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.367 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -133.27 157.49 78.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.05 -33.08 88.72 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.696 2.264 . . . . 0.0 112.107 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -60.88 -36.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.704 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 20.3 m -68.42 -36.53 79.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 -51.04 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.6 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.295 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.65 -51.65 53.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.961 0.41 . . . . 0.0 111.185 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -71.22 -16.4 62.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.082 -173.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.05 -66.47 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 111.397 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -48.81 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.317 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.93 4.94 10.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -107.4 -33.46 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.27 83.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.594 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -93.62 97.2 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.988 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -58.45 133.83 85.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.592 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 29.7 Cg_endo -64.67 -14.37 44.28 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.844 2.363 . . . . 0.0 111.567 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.34 -19.75 38.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.956 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -98.54 -43.48 6.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.511 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 2' ' ' ALA . 90.4 m-85 -136.38 138.77 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.424 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -77.36 100.34 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.49 120.63 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.5 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.458 ' OE2' ' HG3' ' B' ' 4' ' ' LYS . 47.7 mt-10 -106.39 121.37 44.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.342 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -87.74 107.38 17.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.071 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.71 117.54 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -88.59 113.09 23.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.039 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' B' ' 8' ' ' TYR . 52.5 mt -81.66 -15.17 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.049 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.25 -19.81 71.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.532 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -72.43 -47.88 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.424 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 54.2 m-20 -127.27 121.99 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 -176.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -74.73 -18.71 60.46 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.76 -22.02 66.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.505 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.493 ' HG2' ' OE1' ' B' ' 47' ' ' GLU . 72.3 mtt180 -75.52 -18.11 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.957 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.8 -37.02 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.493 ' OE1' ' HG2' ' B' ' 44' ' ' ARG . 42.1 mt-10 -73.48 -33.07 64.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 109.998 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.513 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -64.1 -35.18 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.063 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.11 -31.98 73.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.69 175.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 66.3 mttm -69.09 -51.24 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.349 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.35 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.472 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.69 42.8 3.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.912 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 58.0 t -91.87 119.63 39.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.655 0.264 . . . . 0.0 110.359 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.76 -29.01 17.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.44 . . . . 0.0 110.672 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -140.35 137.98 34.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.895 0.379 . . . . 0.0 111.183 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.715 HG22 ' HD2' ' B' ' 57' ' ' PRO . 15.6 m -79.02 -161.1 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.55 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.999 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' B' ' 56' ' ' VAL . 0.7 OUTLIER 11.8 92.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 123.531 2.821 . . . . 0.0 114.454 -135.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' B' ' 66' ' ' PHE . . . -144.39 175.67 9.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 113.753 -1.567 . . . . 0.0 110.77 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.79 117.48 10.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.05 106.37 20.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 110.285 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.62 92.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.714 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.705 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 13.1 t70 48.65 69.04 0.6 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.611 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.24 -35.66 3.94 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.836 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 111.67 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.31 123.0 34.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.834 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' B' ' 58' ' ' ALA . 67.8 m-85 -129.46 154.94 46.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.547 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.18 139.0 50.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.474 HD12 ' HE1' ' B' ' 7' ' ' PHE . 60.5 mt -97.08 102.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.442 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 91.0 m-20 60.76 -161.16 0.29 Allowed 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -168.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -105.13 94.46 5.25 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 172.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.56 -90.01 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.35 -0.928 . . . . 0.0 110.892 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.555 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -140.2 128.08 21.97 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.116 174.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.75 136.69 50.1 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.115 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.5 tt -65.04 -19.97 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 117.434 0.617 . . . . 0.0 110.187 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.01 -43.93 97.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.053 173.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.65 -26.09 41.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.293 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.929 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.53 106.25 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 110.255 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.71 -22.05 2.17 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.657 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.843 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.076 0.465 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -83.77 85.06 7.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.855 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 12.9 m -62.12 148.51 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.897 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -73.09 101.51 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.027 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -94.86 103.9 15.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.967 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 28.8 mt -96.73 116.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -99.07 114.97 27.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.466 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 44.8 m-85 -99.57 119.77 38.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.14 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 6.8 p80 -140.19 162.88 34.21 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.794 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.17 17.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.629 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.02 27.67 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.357 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 28.9 p -97.22 168.33 10.4 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 78.8 Cg_exo -49.88 -39.78 48.88 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.712 2.275 . . . . 0.0 112.823 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.01 -35.09 66.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.088 0.47 . . . . 0.0 110.665 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 84.1 m -69.64 -40.04 76.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.93 -44.75 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 m -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.86 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -79.98 -4.35 52.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 -65.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.459 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.33 -48.0 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.028 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.26 3.46 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -106.63 -28.53 10.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.378 0.609 . . . . 0.0 109.5 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.67 -35.27 67.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.89 92.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.065 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 7.9 p-10 -94.18 153.7 40.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.757 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 18.3 Cg_endo -59.05 -13.61 19.81 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.67 2.913 . . . . 0.0 114.332 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.02 -33.7 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.977 0.418 . . . . 0.0 110.168 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 54.4 tttp -100.7 -47.69 4.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.729 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 93.7 m-85 -136.31 124.9 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.613 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 19.7 m -81.39 123.84 28.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.039 0.447 . . . . 0.0 111.026 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 39.7 t -102.61 135.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.793 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -108.26 138.73 44.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.121 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.13 118.5 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.578 0.227 . . . . 0.0 110.751 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.8 123.19 70.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -99.41 114.39 27.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.031 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 56' ' ' VAL . 88.6 mt -88.34 -9.68 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 39.38 3.0 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.324 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.8 m -152.23 -68.24 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.323 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 9.5 t70 -89.7 136.48 33.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.39 -23.41 32.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.64 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.563 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 1.7 mmp_? -52.62 -41.92 64.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.099 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.67 -45.29 95.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -58.65 -43.22 89.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.685 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.51 -40.95 96.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.843 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.38 77.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.871 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.24 -14.51 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 66.4 mttm -85.84 -39.12 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.461 . . . . 0.0 109.802 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.73 -34.86 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.569 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.55 40.17 1.8 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.742 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.39 132.67 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.09 -38.98 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.443 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 45.5 m -146.39 167.07 24.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG12 HD11 ' A' ' 38' ' ' LEU . 30.7 m -122.94 151.1 60.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.661 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.6 Cg_endo -76.18 155.66 98.48 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 123.213 -1.578 . . . . 0.0 112.929 0.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' ' 8' ' ' TYR . . . -125.24 154.66 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.624 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.245 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 58.6 t -91.24 107.44 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 63' ' ' GLY . 49.1 mm -93.49 97.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.587 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 26.2 t70 72.09 -21.98 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.588 0.755 . . . . 0.0 112.224 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.44 -27.84 0.18 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.08 130.5 34.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.9 110.0 22.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.417 . . . . 0.0 111.411 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.86 164.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.891 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.493 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -122.35 149.39 43.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.661 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 mm -111.91 103.63 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 67' ' ' HIS . 87.3 m-20 65.36 -168.95 0.2 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.518 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -124.15 84.76 2.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.07 -70.7 1.32 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.252 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 146.28 39.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.464 0.173 . . . . 0.0 110.803 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.461 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -87.72 141.08 16.97 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.582 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 tt -69.93 -26.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.864 0.364 . . . . 0.0 111.309 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -76.34 -34.5 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.457 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.29 -25.83 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.468 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -69.12 -13.93 62.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.966 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.18 -32.92 74.85 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.527 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.54 117.58 5.85 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.575 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.178 -179.526 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.78 110.81 4.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.783 0.325 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.667 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 59.9 m -84.51 172.93 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' B' ' 62' ' ' ASP . 28.2 mtpp -71.53 132.39 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.177 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 85.27 2.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.72 120.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -98.33 129.93 45.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.88 130.48 55.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.663 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -158.07 160.75 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.433 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 20.79 15.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.53 89.74 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.443 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.474 ' O ' HG21 ' B' ' 16' ' ' VAL . 23.6 p -156.96 160.17 30.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' B' ' 12' ' ' CYS . 13.9 Cg_endo -57.18 -32.24 92.91 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.521 2.147 . . . . 0.0 112.701 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.72 -45.44 95.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.48 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.873 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 22.0 p -76.41 -23.09 54.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.568 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 12' ' ' CYS . 64.2 t -61.8 -35.72 69.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -61.73 -49.39 76.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.992 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.43 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.919 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.48 -50.01 75.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.301 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -89.14 -1.14 57.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.58 -69.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.596 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.92 -43.7 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.82 -1.18 26.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.269 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -106.15 -16.1 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.637 0.732 . . . . 0.0 109.203 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -80.6 -37.97 30.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.015 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.12 114.17 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 16.3 t70 -64.92 128.06 93.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.449 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.2 -23.4 73.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.432 2.755 . . . . 0.0 113.997 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.5 p -104.28 -3.69 23.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 52.9 tttp -84.98 -39.42 18.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.667 ' HD1' ' H ' ' B' ' 3' ' ' SER . 60.1 m-85 -140.02 163.35 32.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.0 m -78.38 93.75 4.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.34 112.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.219 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.98 141.93 49.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.832 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.35 115.14 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.17 113.9 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.137 0.494 . . . . 0.0 110.443 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -91.6 111.74 23.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.91 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.565 HD11 HG13 ' B' ' 56' ' ' VAL . 55.9 mt -90.27 -6.99 54.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.791 -177.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.56 38.74 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.566 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -156.68 -45.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 109.791 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.612 ' HB3' ' HD2' ' B' ' 44' ' ' ARG . 14.2 t70 -109.7 122.32 47.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.425 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.13 -20.29 41.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.165 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.27 79.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.096 0.474 . . . . 0.0 110.137 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.612 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 67.1 mtt85 -60.15 -32.34 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.232 175.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -44.52 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.07 0.462 . . . . 0.0 110.063 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -10.58 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.11 -36.06 12.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 110.137 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.78 87.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.25 -16.62 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.529 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -77.07 -51.92 10.22 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.02 -33.89 75.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.17 33.96 1.42 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.261 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.73 104.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -77.81 -30.43 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.587 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.585 ' HG ' ' CD2' ' B' ' 67' ' ' HIS . 10.3 p -151.46 154.8 37.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.588 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.6 m -71.94 -167.39 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.448 174.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.873 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 6.6 Cg_exo 12.57 91.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.057 3.171 . . . . 0.0 115.383 -136.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.81 154.51 37.42 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.635 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tt -131.55 129.36 40.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 109.962 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.89 111.74 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -99.09 118.66 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.516 ' O ' ' HD3' ' B' ' 4' ' ' LYS . 26.6 t70 67.31 -68.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.959 0.904 . . . . 0.0 111.353 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.62 19.12 0.16 Allowed Glycine 0 C--N 1.312 -0.752 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.2 132.46 53.0 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.53 115.79 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.305 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -115.14 114.25 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.039 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' B' ' 55' ' ' SER . 72.1 m80 -72.35 131.1 42.19 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.315 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 43.0 mm -92.25 99.31 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.493 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.8 m-20 66.07 -171.45 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -100.11 101.22 12.21 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.92 0.1 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.288 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.13 132.33 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.398 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' B' ' 77' ' ' LEU . . . -58.61 124.69 37.36 Favored Glycine 0 C--O 1.229 -0.219 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.642 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' B' ' 77' ' ' LEU . 16.3 tt -67.65 -25.0 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 117.155 0.477 . . . . 0.0 111.289 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.05 -30.06 39.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.1 -24.2 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.708 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 73' ' ' GLY . 93.8 mt -70.9 -11.87 61.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.05 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.98 -13.39 60.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.482 0.658 . . . . 0.0 109.319 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.03 77.12 1.89 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.73 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.015 0.436 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.48 80.88 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.71 140.84 29.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -79.15 112.04 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.357 0.598 . . . . 0.0 111.326 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -108.62 106.79 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.557 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.01 116.04 36.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 110.3 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 61.2 t80 -100.79 98.51 9.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 54.6 m-85 -86.05 108.19 18.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.963 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 8.2 p80 -119.62 161.49 20.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.738 0.304 . . . . 0.0 110.69 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.32 -4.64 31.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.285 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' HA3' ' HE2' ' A' ' 37' ' ' HIS . . . 83.97 -0.56 89.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.35 157.08 83.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.25 -41.49 50.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.185 2.59 . . . . 0.0 112.624 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.27 -38.03 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 9' ' ' HIS . 61.1 m -66.95 -37.11 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.142 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.516 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 60.2 t -64.13 -47.35 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.434 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 m -59.57 -39.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.5 -47.69 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 96.4 mt-30 -58.32 -35.34 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.592 -177.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.68 -65.74 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.01 -48.07 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.02 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -103.04 -3.6 25.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.301 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.26 -31.62 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.242 0.544 . . . . 0.0 109.675 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.17 96.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.268 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 9.3 m-20 -58.37 130.83 84.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.077 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 34.6 Cg_exo -61.73 -15.45 42.36 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.247 2.631 . . . . 0.0 112.95 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -88.41 -23.65 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 0.0 110.014 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -79.12 -47.77 15.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 94.0 m-85 -140.01 138.0 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.931 173.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -75.97 101.68 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 0.0 111.603 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.0 131.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -114.92 104.19 11.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.936 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.96 119.52 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.385 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 59.1 t -128.96 125.64 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.444 ' HE2' ' HA3' ' A' ' 11' ' ' GLY . 54.2 t-80 -85.68 119.8 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.4 tp -110.55 4.16 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 110.582 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.76 -31.86 42.99 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -93.84 -41.46 9.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.011 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -76.36 101.78 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.069 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -83.05 -10.56 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -33.56 32.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.892 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -76.26 4.02 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.26 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.76 -33.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.18 75.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.012 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 32.0 tt0 -73.32 -26.88 61.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.18 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.818 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.66 -28.11 68.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.243 0.544 . . . . 0.0 110.358 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 47' ' ' GLU . 62.0 tttm -70.61 -38.79 74.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.113 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.17 -35.05 14.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.623 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.11 20.84 5.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.984 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.07 107.58 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -100.7 -16.62 17.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -154.05 165.23 36.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.7 145.07 48.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.559 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.08 145.79 55.98 Favored 'Cis proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.12 -1.617 . . . . 0.0 112.766 0.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.53 126.56 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.837 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -101.1 101.97 12.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.4 t -85.47 97.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' C ' ' H ' ' A' ' 63' ' ' GLY . 58.9 mt -90.39 107.26 18.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.019 -177.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 72.87 -23.22 0.21 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.728 0.642 . . . . 0.0 111.759 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 152.53 -10.85 0.62 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.94 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.06 117.55 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -83.63 113.26 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.387 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -104.53 108.06 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.214 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 56.4 m80 -79.32 117.53 20.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.182 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.71 98.87 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.687 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 68.52 121.23 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.928 0.767 . . . . 0.0 111.195 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -72.43 96.9 1.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.958 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.32 -61.93 1.3 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 134.88 33.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.4 159.02 23.13 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.715 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.91 -32.25 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.81 -32.91 74.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.0 110.73 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.08 -42.94 36.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.878 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.76 -25.63 53.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.323 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -107.6 18.92 20.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.583 0.706 . . . . 0.0 110.137 -176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.04 166.47 46.53 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.101 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.514 -178.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.703 0.287 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.96 91.27 3.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.552 ' HB2' ' CD2' ' B' ' 31' ' ' TYR . 17.1 m -64.47 151.51 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.301 -175.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 1.6 tpmt? -61.38 139.56 58.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.237 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' B' ' 33' ' ' VAL . . . -141.72 97.4 3.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.2 mm -104.3 117.58 50.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -100.56 121.87 42.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.316 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 83.1 m-85 -102.64 129.36 49.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.347 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.867 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 28.5 p80 -150.11 172.38 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.843 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.09 -7.01 11.92 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.06 -3.16 55.34 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.155 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.532 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 58.2 m -66.28 163.9 35.22 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.259 0.224 . . . . 0.0 110.525 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 6.6 Cg_endo -49.09 -42.72 38.45 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.22 2.613 . . . . 0.0 112.831 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.28 -34.31 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.162 0.506 . . . . 0.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 33.5 m -66.28 -40.55 90.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.389 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.41 -50.79 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.763 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.71 -44.02 90.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.52 65.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.478 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -64.17 -33.2 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 110.631 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.31 -63.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.352 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 -49.11 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -171.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.505 HG23 HG22 ' B' ' 68' ' ' ILE . 44.3 t -68.06 -41.2 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -171.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.72 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -98.29 -3.86 36.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -88.47 -43.45 11.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.656 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -75.62 125.72 35.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 14.5 t70 -69.98 124.8 91.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.362 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -11.72 31.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.205 2.604 . . . . 0.0 113.23 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -99.6 -9.29 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.41 0.624 . . . . 0.0 109.642 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 36.9 tttp -93.54 -45.66 7.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.223 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' B' ' 3' ' ' SER . 93.8 m-85 -129.03 149.17 50.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.647 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.7 m -86.93 92.2 8.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.012 0.434 . . . . 0.0 110.067 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.453 ' HA ' ' HB1' ' B' ' 5' ' ' ALA . 40.2 t -84.48 115.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.021 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -121.86 134.78 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -97.59 125.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.518 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' B' ' 8' ' ' TYR . 90.1 t -121.96 127.84 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.26 124.18 31.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.12 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 tp -126.33 108.87 11.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.196 0.522 . . . . 0.0 109.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.71 -58.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.082 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -80.66 -10.04 59.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.629 0.728 . . . . 0.0 109.842 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -103.6 106.55 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.971 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -88.84 -9.46 51.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.95 -49.73 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 0.0 111.067 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -82.25 10.14 7.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.981 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.46 HG21 HD12 ' B' ' 74' ' ' ILE . 55.3 mt -61.72 -37.01 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 171.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.93 -29.84 70.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.942 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.83 -40.72 83.75 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.925 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' B' ' 53' ' ' VAL . . . -60.14 -40.08 88.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.98 -29.24 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.915 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 97.8 mttt -71.43 -41.7 69.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 110.626 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.3 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.67 23.2 8.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.919 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' B' ' 48' ' ' ALA . 43.3 t -81.94 102.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.16 -16.6 32.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.249 0.547 . . . . 0.0 110.662 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.9 m -148.34 143.35 26.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.788 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.558 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 10.2 m -71.72 -169.23 0.11 Allowed Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.867 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 16.09 86.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 0 C-N-CA 123.792 2.995 . . . . 0.0 115.009 -135.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.6 152.77 30.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.093 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tt -123.49 128.11 49.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 35.7 t -98.24 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.566 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.35 101.67 12.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.931 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.522 ' HA ' ' HB3' ' B' ' 4' ' ' LYS . 27.5 t70 66.0 -70.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.099 0.96 . . . . 0.0 111.585 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.38 8.05 1.84 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.981 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.79 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -87.46 120.6 28.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -114.63 120.38 39.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.131 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.424 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.2 m80 -77.49 118.97 20.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.907 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.505 HG22 HG23 ' B' ' 22' ' ' VAL . 58.6 mt -108.05 94.91 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 66.22 118.2 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.14 0 O-C-N 124.084 0.865 . . . . 0.0 109.649 -170.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -55.06 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.992 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.37 -90.83 0.29 Allowed Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.534 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.516 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.73 136.35 34.09 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.252 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.94 134.57 17.37 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.298 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.46 HD12 HG21 ' B' ' 45' ' ' ILE . 14.9 tt -68.44 -24.29 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.315 0.579 . . . . 0.0 109.625 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' B' ' 78' ' ' LYS . 4.5 m-20 -63.39 -25.64 68.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.922 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -74.17 -36.35 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.57 -25.64 57.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' B' ' 75' ' ' ASP . 52.5 mttm -70.12 102.35 2.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.857 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.47 54.38 4.33 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.454 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.248 1.006 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.517 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.48 124.98 34.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.547 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.38 155.72 19.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -89.7 138.82 31.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.085 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.11 113.25 21.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.229 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mt -95.12 121.35 45.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' HD2' HG22 ' A' ' 35' ' ' ILE . 73.6 t80 -104.1 102.73 12.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -89.94 122.74 33.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.275 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 11.6 p80 -133.79 175.28 9.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.628 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.95 19.39 10.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.331 -177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.88 19.92 78.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.893 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.6 151.54 61.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.61 -38.86 84.39 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.727 2.284 . . . . 0.0 112.308 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -60.67 -35.7 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.873 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 35.2 m -65.56 -39.81 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.15 -40.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -63.6 -37.65 88.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.675 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.53 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.591 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 35.4 tt0 -64.06 -43.02 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.036 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.86 -22.02 46.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.056 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.27 -67.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.54 -44.44 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.328 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -74.82 -4.27 36.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.568 -177.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -101.73 -15.08 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 110.4 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.64 -32.95 20.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.354 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.06 108.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.531 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.65 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 7.7 t70 -70.44 129.54 90.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.77 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 32.2 Cg_exo -59.8 -18.47 49.08 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.266 2.644 . . . . 0.0 112.996 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -76.72 -17.79 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.462 . . . . 0.0 110.362 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -104.06 -44.65 4.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.365 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 82.7 m-85 -138.18 141.62 40.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.467 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.5 m -90.58 108.26 19.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.058 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -84.16 111.99 20.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.12 106.32 15.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.004 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.63 HG22 ' HD2' ' A' ' 7' ' ' PHE . 64.2 mt -89.87 123.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.58 127.71 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -76.99 106.43 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 45' ' ' ILE . 33.4 tp -76.65 -12.03 59.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.987 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.22 -8.09 75.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.246 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -85.7 -40.85 15.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -116.0 121.59 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.69 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.12 -25.43 34.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.34 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.991 0.424 . . . . 0.0 110.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.51 -24.06 65.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.505 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 38' ' ' LEU . 69.9 mt -62.12 -43.16 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.205 0.526 . . . . 0.0 109.665 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.14 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.697 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.36 -42.06 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.107 0.479 . . . . 0.0 109.883 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -60.68 -35.25 75.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.168 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' CD ' ' HZ2' ' A' ' 78' ' ' LYS . 43.5 mt-10 -66.96 -25.0 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -82.16 -26.66 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.346 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.65 16.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.804 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.65 24.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.954 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 92.5 t -86.4 125.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -123.78 -10.32 7.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.391 . . . . 0.0 110.945 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.459 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 30.2 m -152.41 172.73 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.013 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.01 144.1 51.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.591 0.234 . . . . 0.0 110.54 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.33 157.6 78.39 Favored 'Cis proline' 0 C--N 1.343 0.288 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.72 -0.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.0 tp -98.99 100.73 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.793 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.6 t -90.34 96.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.547 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.44 98.19 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 65.68 4.31 2.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.906 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.66 -30.62 2.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.09 114.37 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.53 112.49 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -106.79 111.01 23.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.183 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 53.4 m80 -77.32 108.39 10.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.312 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.416 HD12 ' HE1' ' A' ' 7' ' ' PHE . 62.9 mt -85.35 102.51 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.87 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 64.77 102.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.32 104.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.139 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.84 -60.53 0.97 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 162.73 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -91.95 166.67 30.08 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.536 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.0 tt -72.44 -17.11 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.582 0.706 . . . . 0.0 109.608 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -80.57 -24.35 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.86 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.49 -27.45 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.16 0.505 . . . . 0.0 109.945 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.73 -24.11 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.369 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HZ2' ' CD ' ' A' ' 49' ' ' GLU . 66.2 mttm -77.07 -21.38 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.77 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.7 131.48 11.48 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.645 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.441 -179.678 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.94 122.64 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.789 0.328 . . . . 0.0 111.668 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -82.9 153.29 25.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.511 ' HE3' HD13 ' B' ' 6' ' ' ILE . 54.5 pttt -87.23 136.59 32.87 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.284 -175.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.73 121.28 44.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.68 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.511 HD13 ' HE3' ' B' ' 4' ' ' LYS . 36.7 mt -95.69 120.09 44.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.12 0.486 . . . . 0.0 110.863 -171.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -100.23 104.23 15.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.803 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -91.78 122.99 34.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.311 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.786 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.0 p80 -144.1 178.35 7.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.87 9.56 6.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.655 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.99 -24.59 17.5 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.284 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -51.57 147.74 10.6 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.388 0.275 . . . . 0.0 111.174 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.1 -30.03 23.86 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.495 2.797 . . . . 0.0 113.744 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.57 -36.81 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.1 m -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.086 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.57 -42.6 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.868 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -59.67 -47.88 83.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.79 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.653 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.11 -53.19 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.98 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.23 -51.97 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.659 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -54.57 6.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.0 -37.39 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.21 -13.72 61.2 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -96.59 -22.88 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.288 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.31 30.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.034 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -84.34 122.37 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.016 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.489 ' HB2' ' HG3' ' B' ' 30' ' ' LYS . 30.5 m-20 -75.19 131.66 77.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.709 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.517 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 36.0 Cg_exo -61.3 -17.15 51.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.812 2.342 . . . . 0.0 111.901 175.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -73.82 -27.2 61.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.64 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.65 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 67.0 mttm -83.84 -49.87 8.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.367 0.603 . . . . 0.0 109.547 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 98.0 m-85 -136.2 132.93 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.72 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -75.63 112.41 11.96 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.47 109.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 0.0 110.479 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.19 103.91 15.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.909 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.71 123.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.659 HG12 ' HG2' ' B' ' 44' ' ' ARG . 54.3 t -125.66 120.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 110.944 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -92.8 99.31 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.995 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.518 HD11 HG11 ' B' ' 56' ' ' VAL . 51.0 mt -80.91 -1.26 42.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.13 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.85 -3.02 88.3 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.054 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 -55.17 2.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.056 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.14 121.14 37.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.237 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' B' ' 45' ' ' ILE . 89.3 mttt -89.72 -18.84 25.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.506 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -62.65 -48.5 79.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.837 0.351 . . . . 0.0 110.748 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.659 ' HG2' HG12 ' B' ' 36' ' ' VAL . 0.7 OUTLIER -67.98 -26.94 66.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' B' ' 42' ' ' LYS . 61.8 mt -58.18 -54.41 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.747 0.308 . . . . 0.0 110.797 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.57 77.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.53 ' CD ' HH21 ' B' ' 44' ' ' ARG . 40.3 mt-10 -66.92 -41.31 87.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.31 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.17 90.09 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.434 ' CD ' ' HZ2' ' B' ' 78' ' ' LYS . 43.7 mt-10 -56.1 -42.53 76.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 176.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.65 -18.73 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.77 -30.94 51.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.42 5.68 7.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.43 111.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -90.12 -25.56 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.401 -174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -149.39 156.55 42.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.943 0.401 . . . . 0.0 111.65 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.564 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 9.1 m -79.02 -167.66 0.14 Allowed Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.786 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.9 OUTLIER 12.71 84.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 123.607 2.871 . . . . 0.0 114.544 -135.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.402 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -144.83 147.95 33.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.886 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt -119.43 112.34 19.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 47.2 t -90.89 102.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.217 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.85 95.65 5.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.183 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 45.87 75.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.22 -38.78 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.321 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.79 38.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.052 0.426 . . . . 0.0 111.13 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.54 118.43 30.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.468 . . . . 0.0 111.329 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.53 103.37 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.148 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.59 127.34 32.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.061 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 47.3 mm -97.73 93.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' B' ' 68' ' ' ILE . 87.0 m-20 71.14 171.96 0.32 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.127 -168.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -91.06 92.03 8.54 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.21 -96.07 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.462 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.551 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.71 132.48 29.09 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.601 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.75 128.26 44.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.559 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.89 -23.76 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.43 0.633 . . . . 0.0 110.407 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -76.92 -32.26 57.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.934 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -21.26 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.906 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.19 -17.12 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.595 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.434 ' HZ2' ' CD ' ' B' ' 49' ' ' GLU . 63.9 mttm -67.65 -40.57 84.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.108 0.48 . . . . 0.0 109.97 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.76 66.69 1.74 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.796 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.073 177.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.808 0.337 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.97 127.0 47.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.121 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.637 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 19.3 p -84.32 -160.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -120.63 153.66 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.511 0.672 . . . . 0.0 112.296 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.22 116.34 16.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.413 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.589 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 13.4 mt -102.77 118.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.585 ' HB3' HG12 ' A' ' 35' ' ' ILE . 64.3 t80 -97.07 114.08 25.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.267 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' HB3' HD11 ' A' ' 38' ' ' LEU . 89.2 m-85 -101.38 128.64 47.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.349 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -149.12 178.1 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.411 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.74 10.61 9.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.92 -15.43 60.8 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.602 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.59 136.25 82.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.434 0.294 . . . . 0.0 110.805 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.53 -23.91 5.85 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.689 2.926 . . . . 0.0 114.128 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.5 -34.48 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.065 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -77.1 -26.82 53.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.585 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.18 -47.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -57.62 -47.42 82.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.205 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.07 91.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.749 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.43 -54.75 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.985 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.4 -20.8 65.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.629 -174.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.19 -65.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.713 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 t -80.27 -50.74 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.78 -171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.45 -26.86 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.943 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -81.14 -24.65 37.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.234 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.64 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.051 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.7 109.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.58 138.09 88.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 44.1 Cg_endo -69.0 -3.25 11.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.95 2.434 . . . . 0.0 112.184 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -95.59 -14.29 23.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.11 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -98.14 -39.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.294 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 61.8 m-85 -141.72 146.47 36.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.821 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -77.75 98.59 5.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.429 . . . . 0.0 110.383 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -81.52 118.47 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.409 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 32.9 tt0 -124.21 126.91 46.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.585 HG12 ' HB3' ' A' ' 7' ' ' PHE . 64.9 mt -115.21 133.14 62.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.7 124.47 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.882 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.83 108.37 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.054 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 8' ' ' TYR . 91.1 mt -87.73 -20.2 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.246 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 34.05 2.39 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.815 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -144.08 -57.87 0.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.023 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.28 118.43 32.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.009 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.41 -30.77 70.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.186 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.9 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.931 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -75.6 -21.48 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.921 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.04 -34.33 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.078 0.466 . . . . 0.0 109.824 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.24 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.566 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.71 -38.72 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.167 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -64.12 -43.72 94.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.654 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.97 -42.32 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.684 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.08 -28.59 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.463 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.87 53.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.35 20.95 33.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 60.6 t -77.98 111.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.973 0.416 . . . . 0.0 110.098 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.64 -30.22 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.2 m -147.78 166.4 27.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.27 146.78 43.45 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.334 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.36 150.54 51.23 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.292 -1.545 . . . . 0.0 112.932 0.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -135.35 125.95 26.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 tt -102.44 109.33 20.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.5 t -94.85 106.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.5 mt -90.12 99.04 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.637 ' OD1' ' HB2' ' A' ' 3' ' ' SER . 63.8 m-20 65.47 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 111.77 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.86 10.7 4.24 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.65 116.59 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 110.448 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -93.29 117.5 30.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 -176.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 95.5 m-85 -111.59 104.42 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 75.7 m80 -73.5 115.92 13.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.578 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.1 mt -88.84 95.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 66.65 -169.3 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.004 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -130.15 106.69 8.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 110.806 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.16 -67.09 0.83 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.574 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.67 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.57 166.02 41.19 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 17.4 tt -66.31 -31.01 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 117.01 0.405 . . . . 0.0 110.754 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.617 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 1.2 m-20 -75.36 -22.77 57.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -69.92 -27.62 64.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 109.68 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.19 -26.94 32.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.359 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.617 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 88.9 mttt -70.04 -58.82 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.95 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.47 -152.77 17.95 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.799 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.431 178.3 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.734 0.302 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.84 140.08 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.18 161.32 22.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.973 0.416 . . . . 0.0 110.939 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.481 ' HD2' HD12 ' B' ' 6' ' ' ILE . 34.6 ttpt -92.1 133.1 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.774 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -128.29 112.11 14.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.481 HD12 ' HD2' ' B' ' 4' ' ' LYS . 42.7 mm -99.3 122.45 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.95 0.405 . . . . 0.0 110.947 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.15 122.29 42.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.771 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -105.76 132.58 51.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.876 0.369 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.804 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 4.7 p80 -144.05 176.64 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.48 16.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.78 -108.4 0.57 Allowed Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 119.828 -1.177 . . . . 0.0 112.198 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.533 ' HB3' ' HD3' ' B' ' 13' ' ' PRO . 49.9 t -176.08 -55.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.846 -175.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' B' ' 12' ' ' CYS . 75.8 Cg_exo -50.34 -65.02 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 122.5 2.134 . . . . 0.0 113.589 -171.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.71 -24.74 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 110.31 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.883 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 25.3 m -66.93 -46.48 74.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.182 -175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.07 -30.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -61.6 -52.4 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.477 . . . . 0.0 109.905 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.75 70.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -67.7 -41.3 83.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -96.46 -2.82 44.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.21 -61.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.452 HG13 HD12 ' B' ' 68' ' ' ILE . 56.7 t -70.09 -50.34 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.293 . . . . 0.0 111.085 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -6.71 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.073 0.463 . . . . 0.0 111.041 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -95.04 -27.72 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.328 0.585 . . . . 0.0 109.65 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -78.92 -37.64 39.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.564 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.42 121.54 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.9 t70 -73.33 124.64 90.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.794 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 39.5 Cg_exo -61.75 -23.2 75.88 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.312 2.675 . . . . 0.0 113.451 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -85.87 -10.94 54.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.991 0.424 . . . . 0.0 110.193 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.64 -46.43 6.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -127.8 121.0 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.565 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.67 96.06 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.596 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 61.9 t -83.18 118.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.85 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -119.28 124.87 47.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 69.9 mt -94.88 127.62 46.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 -174.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.54 129.06 76.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.518 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -91.04 122.32 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.31 8.33 35.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.97 29.86 6.65 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.033 -174.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -155.18 -67.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.79 0.295 . . . . 0.0 110.739 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.54 122.65 19.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' B' ' 45' ' ' ILE . 54.0 mttp -83.02 -25.6 32.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.81 88.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.135 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -75.73 -23.61 56.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.395 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' B' ' 42' ' ' LYS . 73.0 mt -65.01 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.15 -36.55 82.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.617 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.86 -40.94 92.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -55.81 -44.03 77.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.321 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.66 -46.67 67.28 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 26.2 mttm -84.35 -17.97 37.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.956 -171.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.95 -30.25 24.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.011 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.27 -2.0 11.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.372 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 28.3 t -81.04 105.46 11.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.43 -6.16 19.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 30.2 m -150.37 145.42 26.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.52 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.621 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.5 m -77.04 -172.2 0.29 Allowed Pre-proline 0 C--O 1.238 0.461 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.883 ' HG3' ' HG ' ' B' ' 15' ' ' CYS . 0.6 OUTLIER 14.19 88.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 124.11 3.207 . . . . 0.0 115.241 -137.259 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.94 158.51 44.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.731 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -124.48 121.02 33.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.803 0.335 . . . . 0.0 110.74 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.2 t -94.82 101.22 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.47 ' C ' ' H ' ' B' ' 63' ' ' GLY . 64.3 mt -92.48 109.71 21.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 72.5 -28.54 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.972 0.909 . . . . 0.0 112.084 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 165.17 -23.46 0.15 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.11 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.72 0.295 . . . . 0.0 110.618 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.74 121.17 30.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.59 114.63 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 61.7 m80 -75.82 130.02 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.452 HD12 HG13 ' B' ' 22' ' ' VAL . 64.2 mt -116.07 102.08 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -174.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 60.8 m-20 60.11 98.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.917 0.76 . . . . 0.0 109.455 -170.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.93 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.222 0.951 . . . . 0.0 111.968 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.57 -90.07 0.32 Allowed Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.209 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.52 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -139.65 121.2 15.18 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.474 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.17 158.1 53.51 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.27 -41.35 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.735 0.302 . . . . 0.0 110.622 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -29.32 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.455 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -76.91 -44.5 31.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -31.85 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.87 -48.28 22.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.686 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.55 -60.06 3.69 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.876 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.427 175.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.759 0.314 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -104.41 61.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.156 0.503 . . . . 0.0 109.923 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -87.95 -179.83 6.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.794 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.738 ' HE2' HG12 ' A' ' 6' ' ' ILE . 85.8 tttt -82.66 134.57 35.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.315 0.579 . . . . 0.0 111.636 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -120.94 110.49 16.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.093 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.738 HG12 ' HE2' ' A' ' 4' ' ' LYS . 1.4 mt -99.39 114.19 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.635 0.255 . . . . 0.0 110.893 -172.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' HB3' HG12 ' A' ' 35' ' ' ILE . 50.0 t80 -100.72 108.61 20.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 0.0 110.599 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -100.4 126.41 46.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.106 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.655 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 p80 -150.94 -177.48 6.03 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.875 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.85 17.4 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 15.0 81.45 Favored Glycine 0 C--O 1.231 -0.08 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.033 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.81 154.69 87.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.64 -34.37 73.35 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.883 2.388 . . . . 0.0 112.126 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.436 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 17.2 m -69.33 -34.59 74.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.396 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.16 -47.68 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.569 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t -59.8 -44.01 94.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.244 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.0 tt0 -67.16 -49.69 63.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -77.44 -9.81 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 -57.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.94 -47.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.743 0.306 . . . . 0.0 110.726 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 19' ' ' GLU . . . -75.54 -3.09 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.649 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -88.97 -34.91 16.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.496 ' HB3' HG22 ' B' ' 26' ' ' ILE . . . -75.35 -33.9 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.509 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.28 94.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.662 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 39.5 m-20 -60.79 138.27 93.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.505 -176.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 23.6 Cg_exo -65.05 -15.73 51.86 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.995 2.463 . . . . 0.0 112.037 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 m -89.22 -19.51 25.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 57.1 tttp -88.35 -42.01 12.48 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 72.8 m-85 -134.06 146.65 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.921 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -82.79 91.49 7.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.076 0.465 . . . . 0.0 110.256 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 42.7 t -83.91 116.0 27.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.387 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG12 ' HB3' ' A' ' 7' ' ' PHE . 63.5 mt -99.13 126.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.664 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.08 130.23 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.298 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -95.04 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.06 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.28 -19.02 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.5 5.23 84.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 m -103.12 -28.67 11.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.681 0.276 . . . . 0.0 111.256 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 27.1 t70 -136.88 148.6 47.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 0.0 111.752 -172.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.6 -39.19 24.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.669 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.65 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.271 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 32.1 mmt180 -58.22 -30.33 66.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.568 178.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.17 -44.01 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.122 0.487 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.26 75.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -73.65 -39.56 64.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.433 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -61.0 -42.32 98.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.484 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.99 -22.78 66.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.311 . . . . 0.0 111.171 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -82.78 -41.17 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.15 86.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.027 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.96 3.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.578 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 51.7 t -87.8 105.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.94 -21.1 15.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m -144.56 167.53 22.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.363 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.37 143.91 46.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.8 0.333 . . . . 0.0 110.726 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -86.35 154.01 50.1 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.24 -1.567 . . . . 0.0 112.929 -1.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -134.32 130.59 37.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.761 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 HG12 ' A' ' 61' ' ' ILE . 1.5 tt -111.61 111.67 22.83 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.2 t -85.26 95.96 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.898 178.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.493 HG12 HD23 ' A' ' 59' ' ' LEU . 57.7 mt -90.55 114.04 27.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 72.02 -14.66 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.702 0.626 . . . . 0.0 111.758 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 142.84 -19.86 2.36 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.153 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.69 132.11 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.607 0.242 . . . . 0.0 110.558 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -87.29 126.66 34.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.002 0.43 . . . . 0.0 111.508 -176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.49 109.69 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.534 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.0 m80 -74.15 121.8 21.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.746 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.17 100.62 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 68.0 108.26 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.799 0.687 . . . . 0.0 110.769 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.26 94.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.7 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.95 -71.21 1.26 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.691 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.3 47.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.586 0.231 . . . . 0.0 110.793 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.61 141.87 16.36 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.483 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.1 tt -69.41 -23.56 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.222 0.535 . . . . 0.0 110.516 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 27.7 t70 -67.85 -26.03 65.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.585 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -78.1 -17.13 57.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.573 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.13 6.55 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.705 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 94.0 mttt -90.78 -16.0 29.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.34 173.25 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.62 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.297 179.165 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' B' ' 31' ' ' TYR . . . -145.9 -50.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.617 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' B' ' 32' ' ' THR . 50.5 m 56.42 -157.81 0.26 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -134.23 126.48 29.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.418 0.628 . . . . 0.0 111.205 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.518 ' HB2' HD21 ' B' ' 59' ' ' LEU . . . -118.55 100.62 7.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.152 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 48.2 mt -99.04 119.86 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.463 . . . . 0.0 111.378 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -98.44 120.46 38.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.924 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -105.01 130.87 53.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.457 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.579 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 5.0 p80 -159.56 179.85 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.904 0.383 . . . . 0.0 111.117 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.67 24.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.24 23.0 64.1 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.879 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.52 ' O ' HG22 ' B' ' 16' ' ' VAL . 14.3 m -77.58 147.27 74.76 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.25 -29.46 57.27 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.651 2.234 . . . . 0.0 112.414 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.53 -51.08 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.278 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 6.4 p -75.57 -20.63 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.308 -176.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.596 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 88.5 t -59.87 -53.23 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.0 m -61.06 -35.34 76.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.741 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 30.4 tt0 -68.91 -30.91 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 67.2 mt-30 -83.15 -20.33 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.536 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 -61.51 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.925 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.575 HG13 HD12 ' B' ' 68' ' ' ILE . 40.0 t -66.57 -40.32 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.666 0.27 . . . . 0.0 111.003 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.62 -8.38 55.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.333 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -105.99 -9.09 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.441 173.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.412 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -84.85 -44.93 12.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 25' ' ' ALA . 71.6 mt -78.85 106.89 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.533 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 14.5 t70 -58.85 122.82 64.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -173.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 27.4 Cg_exo -63.03 -17.51 60.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.261 2.641 . . . . 0.0 113.167 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -103.09 -7.22 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.407 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 45.3 tttp -88.72 -37.82 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.369 175.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.51 ' HA ' ' O ' ' B' ' 2' ' ' ALA . 59.3 m-85 -135.72 140.06 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.775 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' B' ' 3' ' ' SER . 54.8 m -70.45 95.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.0 110.353 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -80.4 114.9 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 5.9 tp10 -119.47 124.48 46.6 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.6 124.49 63.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.905 0.383 . . . . 0.0 111.312 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -107.67 123.84 63.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.83 119.99 39.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.007 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.9 mt -71.53 -15.0 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -20.95 76.96 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.659 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -83.05 -59.69 2.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.557 ' HB2' ' HG2' ' B' ' 44' ' ' ARG . 56.6 m-20 -124.22 117.63 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.061 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.85 -16.06 62.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.212 0.53 . . . . 0.0 109.96 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.93 65.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.557 ' HG2' ' HB2' ' B' ' 41' ' ' ASP . 42.8 mmt180 -70.81 -13.59 62.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.297 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 73.0 mt -61.01 -51.25 75.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 110.817 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.02 74.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.148 0.499 . . . . 0.0 110.785 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.536 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 48.1 mt-10 -67.15 -42.12 84.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.374 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.25 86.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.672 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 38.7 mt-10 -62.89 -35.98 81.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.643 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -67.64 -30.83 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.097 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 -6.15 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 111.36 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.72 17.89 43.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.116 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 93.6 t -85.92 118.84 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.427 ' O ' HG22 ' B' ' 74' ' ' ILE . 97.2 mttt -101.63 -18.84 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.7 m -144.69 146.16 32.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.608 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.12 -171.49 0.22 Allowed Pre-proline 0 C--O 1.237 0.416 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.608 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.2 Cg_exo 14.53 88.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.33 0 C-N-CA 124.289 3.326 . . . . 0.0 115.561 -136.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.56 155.48 39.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.802 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 5' ' ' ALA . 6.4 tt -127.16 128.7 46.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.028 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -103.87 113.11 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -90.75 105.98 16.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 62.29 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.832 0.707 . . . . 0.0 111.21 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.71 10.05 4.28 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.113 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.64 119.08 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.768 0.318 . . . . 0.0 110.406 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.09 117.35 29.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -114.75 107.19 15.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.566 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.463 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 63.7 m80 -72.37 116.66 13.07 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.575 HD12 HG13 ' B' ' 22' ' ' VAL . 61.9 mt -100.36 99.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -172.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.31 100.27 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.982 0.802 . . . . 0.0 109.333 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -39.64 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 124.337 1.023 . . . . 0.0 111.892 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.02 -94.79 0.25 Allowed Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.739 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.68 150.25 44.66 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.398 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.422 ' HA3' ' OD1' ' B' ' 76' ' ' ASP . . . -63.85 127.62 36.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.599 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.427 HG22 ' O ' ' B' ' 54' ' ' LYS . 13.4 tt -73.14 -27.18 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.102 0.477 . . . . 0.0 110.511 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 18.0 t70 -80.19 -22.34 42.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.505 0.669 . . . . 0.0 109.463 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.422 ' OD1' ' HA3' ' B' ' 73' ' ' GLY . 4.5 m-20 -72.42 -30.17 64.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.346 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.85 -16.01 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 94.3 mttt -73.18 97.24 2.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.08 -64.84 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.004 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.589 179.187 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.416 ' HB ' ' H ' ' A' ' 2' ' ' ALA . 20.2 t . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.662 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -101.66 79.95 1.99 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.291 0.567 . . . . 0.0 109.69 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 68.9 m -84.99 177.65 7.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.681 -174.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -104.83 128.0 52.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.458 ' HB3' HD22 ' A' ' 59' ' ' LEU . . . -119.62 117.61 28.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.225 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.91 114.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.097 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -100.33 106.48 18.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.665 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -92.78 129.74 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.705 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 27.4 p80 -155.42 173.28 16.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.865 173.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.22 -8.21 13.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.9 -7.25 57.23 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.635 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -65.45 159.3 68.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.143 0.471 . . . . 0.0 110.568 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.99 -41.02 26.21 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.364 2.709 . . . . 0.0 113.422 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.65 -38.44 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 110.779 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 67.2 m -71.65 -39.81 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.71 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.939 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 110.82 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.93 77.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.51 -46.8 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.838 -176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.63 -69.49 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.828 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.83 -48.82 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.497 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.14 -3.44 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 111.581 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -103.4 -27.54 12.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 0.0 109.774 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.13 55.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -73.19 131.73 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.33 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 12.5 t70 -66.37 123.63 85.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.507 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.15 -25.81 81.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.176 2.584 . . . . 0.0 113.516 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.4 m -93.72 -16.23 24.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 110.619 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.662 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 88.2 tttt -85.34 -33.67 22.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.999 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 3' ' ' SER . 24.0 m-85 -137.1 125.25 23.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.45 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -74.83 93.52 2.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -92.72 108.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -175.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -106.25 127.88 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.9 mt -96.62 134.37 34.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.0 t -118.52 115.06 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.987 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -92.18 106.29 18.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.821 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.56 -16.02 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.396 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.73 -12.21 83.07 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.546 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.0 m -83.29 -44.94 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' HG3' ' A' ' 44' ' ' ARG . 16.6 t0 -139.18 132.04 29.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -77.19 -23.93 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.327 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.46 64.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.908 0.385 . . . . 0.0 110.691 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 9.8 mtp180 -75.05 -17.71 60.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.552 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.2 -38.16 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.122 0.487 . . . . 0.0 109.926 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -63.56 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.131 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.625 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 45.4 mt-10 -62.04 -33.05 73.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.717 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -62.96 -46.62 86.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' A' ' 78' ' ' LYS . 50.4 mt-10 -63.32 -34.02 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.953 177.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 65.1 mttm -64.97 -39.44 93.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.544 178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.09 -19.82 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.284 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.43 24.05 8.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.544 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 91.3 t -85.32 114.55 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -98.2 -22.19 16.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.238 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -146.28 163.02 36.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.28 144.61 36.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.681 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 93.2 Cg_endo -85.91 156.66 57.03 Favored 'Cis proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.195 -1.585 . . . . 0.0 112.991 -0.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -137.5 131.0 31.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 5' ' ' ALA . 2.3 tt -103.51 107.5 18.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -89.91 107.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.213 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -103.75 107.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.27 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.14 29.41 16.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.693 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.62 -19.01 37.05 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.67 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.67 111.72 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.456 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.39 107.43 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.056 0.455 . . . . 0.0 111.033 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.98 102.3 14.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.083 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -69.57 129.04 38.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.659 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' B' ' 66' ' ' PHE . 53.2 mt -108.6 97.09 5.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 69.12 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.877 0.736 . . . . 0.0 111.016 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -68.65 95.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.34 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.45 -65.07 1.11 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.648 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.53 137.76 35.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.549 0.214 . . . . 0.0 110.673 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.43 149.41 30.45 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.449 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.43 -28.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.28 0.562 . . . . 0.0 110.391 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.28 -33.28 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.949 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.57 -17.98 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.804 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.88 -23.17 42.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HZ3' ' CD ' ' A' ' 49' ' ' GLU . 93.8 mttt -82.0 163.59 22.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.29 -56.13 0.58 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.638 -177.359 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.308 0.575 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.36 90.89 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.118 0.485 . . . . 0.0 111.508 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.95 168.15 11.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -96.86 131.56 43.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.221 0.534 . . . . 0.0 111.583 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.541 ' HB3' HG22 ' B' ' 33' ' ' VAL . . . -124.8 136.23 53.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.507 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.31 125.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 110.558 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.569 ' HD2' HG22 ' B' ' 35' ' ' ILE . 77.3 t80 -100.71 117.07 34.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.034 177.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.72 129.22 44.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.816 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.4 p80 -136.72 173.12 12.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.77 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.7 18.55 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.69 64.52 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.09 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.467 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 47.5 m -135.54 161.97 59.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 12.6 Cg_endo -57.04 -33.35 95.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.649 2.233 . . . . 0.0 112.152 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.41 -37.68 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.895 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 24.7 m -62.97 -50.38 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.644 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.55 -46.07 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -61.81 -48.53 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.935 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.8 78.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.426 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 37.7 tt0 -67.6 -53.71 25.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -77.9 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.82 -63.37 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 111.543 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.29 -46.61 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.578 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.23 -32.23 72.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.685 0.279 . . . . 0.0 110.996 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.29 -24.85 54.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.58 88.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.7 mt -78.64 114.45 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.59 ' HB2' ' HB2' ' B' ' 30' ' ' LYS . 36.5 m-20 -62.91 128.82 92.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.891 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 24.3 Cg_exo -64.37 -19.17 65.23 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.817 2.345 . . . . 0.0 111.701 177.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.53 0.57 57.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.811 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.59 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 42.1 tttp -107.56 -48.3 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.46 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.79 157.26 44.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.902 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -96.6 99.67 11.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' B' ' 5' ' ' ALA . 48.6 t -104.83 125.7 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -117.83 144.31 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.918 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.569 HG22 ' HD2' ' B' ' 7' ' ' PHE . 61.4 mt -115.11 127.15 72.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.49 130.58 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.285 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -80.81 123.05 27.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.86 7.91 11.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.257 0.551 . . . . 0.0 110.651 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.93 29.96 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.732 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -155.23 -45.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' B' ' 44' ' ' ARG . 13.9 t70 -85.78 113.27 21.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.967 0.413 . . . . 0.0 110.564 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.7 6.31 42.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.765 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.87 -42.42 10.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 0.0 110.236 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' B' ' 41' ' ' ASP . 66.4 mtp180 -75.58 -3.93 37.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.016 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.34 -30.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.8 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.742 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' B' ' 53' ' ' VAL . . . -61.18 -47.52 85.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.206 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.18 -40.13 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.637 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -60.85 -37.45 82.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.294 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.19 -44.63 14.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.447 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.28 29.92 0.82 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.181 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' B' ' 48' ' ' ALA . 13.3 t -95.32 135.17 30.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -122.32 -18.06 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.839 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 27.7 m -136.88 144.82 43.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.522 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.612 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 4.3 m -88.63 -163.02 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.003 -0.522 . . . . 0.0 109.697 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.895 ' HG3' ' HG ' ' B' ' 15' ' ' CYS . 8.6 Cg_exo 11.41 85.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.345 2.697 . . . . 0.0 114.313 -137.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.58 155.95 40.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.018 -177.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.9 tp -111.31 111.94 23.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.009 0.433 . . . . 0.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -97.95 102.97 14.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -96.66 111.95 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 -177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t70 65.03 8.41 4.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.702 175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.56 -14.51 10.75 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.4 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.01 23.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.32 108.05 15.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.381 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.455 ' HB3' HG21 ' A' ' 68' ' ' ILE . 80.5 m-85 -100.56 97.87 8.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 109.882 176.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.641 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 53.2 m80 -71.21 125.53 27.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.112 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.43 112.15 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.747 0.308 . . . . 0.0 111.155 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.527 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 94.1 m-20 61.87 -89.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.444 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 179.77 91.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.864 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.58 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -80.37 -91.23 0.48 Allowed Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.528 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.85 -174.93 4.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.839 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -137.65 177.47 19.87 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.942 -1.123 . . . . 0.0 112.421 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.52 -32.47 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.4 -39.24 60.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.128 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.92 -49.82 16.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 0.0 110.713 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.14 -35.12 71.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.932 -173.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -85.36 -23.68 27.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.42 -69.12 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.863 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.514 -179.497 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.75 91.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.848 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -89.48 -91.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -175.42 141.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.816 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -132.53 107.72 8.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.694 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 26.3 mt -95.48 137.01 24.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -122.38 97.26 5.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.808 0.337 . . . . 0.0 110.743 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.63 125.76 33.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.742 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 15.4 p80 -143.9 -179.2 6.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.476 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 56' ' ' VAL . . . -122.43 10.88 9.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.89 65.68 2.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.679 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.8 p -139.48 163.9 42.17 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 4.9 Cg_endo -48.01 -41.16 33.47 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.131 2.554 . . . . 0.0 112.925 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.39 -36.46 69.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.841 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.742 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 60.8 m -69.12 -38.86 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -65.8 -39.0 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -58.45 -49.4 77.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 29.6 tt0 -66.56 -49.52 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.039 179.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -84.44 -4.11 58.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.69 -68.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.823 0.344 . . . . 0.0 111.346 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.4 -52.22 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.19 -0.49 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.19 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -93.36 -32.95 14.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.353 0.597 . . . . 0.0 109.539 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.06 56.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.471 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.2 mt -71.91 95.35 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.529 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.686 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 14.7 t70 -63.85 132.45 95.24 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.907 -176.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.28 -9.36 25.63 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.09 2.527 . . . . 0.0 113.347 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 t -104.15 -5.31 22.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.189 0.519 . . . . 0.0 109.663 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 49.6 tttp -93.26 -41.87 9.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.311 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.06 142.75 30.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.852 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -68.55 99.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.577 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.5 t -80.73 117.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.39 96.5 5.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -84.89 127.28 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.986 0.422 . . . . 0.0 110.796 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.19 117.4 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 63.8 t-80 -84.01 83.03 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.45 -12.17 60.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.49 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.68 95.48 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.018 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 t -109.77 -16.21 13.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.805 0.336 . . . . 0.0 110.699 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 37' ' ' HIS . 0.8 OUTLIER -85.4 43.75 1.04 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 109.561 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.07 -26.45 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.706 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -19.46 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.0 111.407 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' HD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 ttp180 -100.68 15.3 28.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.447 0.641 . . . . 0.0 110.445 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.516 HG13 HD13 ' A' ' 74' ' ' ILE . 17.0 tt -58.23 -28.9 36.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.452 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.0 74.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.206 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.463 ' OE1' ' HD2' ' A' ' 44' ' ' ARG . 34.1 tt0 -75.58 -36.89 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.007 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -58.55 -40.09 82.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.555 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.85 -37.37 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.166 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.94 -24.35 24.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.288 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.19 -31.63 43.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 28.95 5.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.087 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 59.0 t -87.59 103.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.921 0.391 . . . . 0.0 110.25 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.97 -19.69 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.641 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -149.74 166.51 29.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' HB1' ' A' ' 10' ' ' ALA . 21.5 m -128.74 147.24 63.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.345 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.557 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.1 Cg_endo -77.9 154.0 93.81 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.049 -1.646 . . . . 0.0 112.981 -0.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.62 129.71 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.828 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 tp -101.57 107.17 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.193 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 46.1 t -98.7 99.03 7.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.196 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' C ' ' H ' ' A' ' 63' ' ' GLY . 63.8 mt -94.42 113.99 30.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.416 -178.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.77 -27.53 0.16 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.861 0.864 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 156.76 -14.96 0.35 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.291 -0.481 . . . . 0.0 112.188 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.97 133.75 34.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.582 0.229 . . . . 0.0 110.405 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.32 115.47 27.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 0.0 111.963 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -115.02 105.18 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.584 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.4 m80 -71.94 145.56 48.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.404 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.557 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 48.8 mm -109.21 102.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 63.17 -163.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 110.043 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -135.52 94.04 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.044 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.42 -62.11 1.35 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.174 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 144.12 38.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.64 146.91 18.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.383 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.516 HD13 HG13 ' A' ' 45' ' ' ILE . 14.0 tt -65.49 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.209 0.528 . . . . 0.0 110.032 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.93 -33.74 72.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.192 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.36 -33.56 73.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.79 -22.78 56.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 99.4 mttt -76.05 95.56 3.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.33 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.95 -173.84 55.01 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.83 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.248 1.014 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.31 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.861 0.362 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.07 83.77 7.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.035 0.445 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -62.84 155.71 26.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.523 ' HE3' HD13 ' B' ' 6' ' ' ILE . 38.8 ttpt -75.18 117.32 16.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.41 . . . . 0.0 111.027 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.457 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -108.32 106.98 17.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.6 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.523 HD13 ' HE3' ' B' ' 4' ' ' LYS . 42.1 mt -95.87 115.72 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.175 0.512 . . . . 0.0 110.791 -174.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.537 ' HE1' HD13 ' B' ' 68' ' ' ILE . 49.8 t80 -94.69 103.73 15.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.951 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -96.89 113.21 24.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.462 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.453 ' ND1' ' HB3' ' B' ' 15' ' ' CYS . 5.7 p80 -133.78 153.69 51.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.497 ' H ' ' HD3' ' B' ' 57' ' ' PRO . . . -161.35 77.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.364 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' B' ' 12' ' ' CYS . . . -172.54 -105.72 0.19 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.548 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 8.8 m -172.41 -64.41 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 123.039 0.536 . . . . 0.0 111.513 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 23.9 Cg_exo -61.93 -62.84 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.134 1.889 . . . . 0.0 113.22 -169.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -24.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.441 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.507 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 35.1 m -66.93 -51.82 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.678 -173.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 66.1 t -59.34 -52.0 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.089 -177.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -64.96 -37.39 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.884 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.565 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -69.57 -40.34 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.544 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 92.9 mt-30 -76.61 -12.69 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 -67.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.708 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.36 -45.75 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.65 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -96.7 -31.94 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.76 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.37 86.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.553 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 1.6 p30 -97.04 163.66 19.53 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.058 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 9.4 Cg_endo -53.25 -14.23 4.03 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.724 2.95 . . . . 0.0 115.197 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 -4.8 56.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.315 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.686 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 74.9 mmtt -114.02 -50.56 2.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 177.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 79.5 m-85 -139.82 169.46 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.763 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.8 m -89.18 98.61 11.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.62 116.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.343 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 6.5 mm-40 -115.62 98.09 6.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' B' ' 7' ' ' PHE . 70.0 mt -89.36 121.08 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.414 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.19 120.49 58.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.352 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -81.13 117.54 21.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' B' ' 10' ' ' ALA . 36.3 tp -85.57 -13.0 50.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.908 -174.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.58 53.14 2.37 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.911 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -149.87 -53.98 0.16 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.036 0.446 . . . . 0.0 110.114 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.69 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 tttp -75.69 -17.78 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.48 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.5 -17.63 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.43 -19.3 65.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.03 -33.18 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.959 -173.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.88 84.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.198 0.523 . . . . 0.0 110.948 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.63 -30.72 57.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.998 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.41 99.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.471 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.0 -39.75 90.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.36 -43.88 84.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.712 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.269 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.54 18.83 10.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.314 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.32 88.87 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.949 0.404 . . . . 0.0 109.919 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.21 -31.62 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.588 0.709 . . . . 0.0 109.873 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.548 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 16.6 m -122.72 138.88 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.062 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.709 ' HB ' ' HB2' ' B' ' 72' ' ' ALA . 1.3 t -80.21 -156.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.62 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 7.9 Cg_exo 1.94 89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.973 2.448 . . . . 0.0 115.031 -139.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -144.11 159.97 41.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' B' ' 5' ' ' ALA . 1.6 tt -117.16 114.55 23.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 0.0 110.153 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 37.2 t -93.18 99.51 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.421 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.404 ' C ' ' H ' ' B' ' 63' ' ' GLY . 60.7 mt -90.46 104.59 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.6 -177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 69.42 -7.95 0.79 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.552 0.741 . . . . 0.0 111.965 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 143.05 -23.96 2.25 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.94 112.06 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 110.336 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -84.03 109.47 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.309 -178.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.93 112.49 24.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.794 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -73.58 129.67 38.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.542 -177.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.537 HD13 ' HE1' ' B' ' 7' ' ' PHE . 58.4 mt -99.44 98.87 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 62.77 -169.82 0.18 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.147 -170.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -90.63 85.73 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 -81.86 0.12 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.887 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.709 ' HB2' ' HB ' ' B' ' 56' ' ' VAL . . . -139.46 175.74 9.31 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.624 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.78 127.57 8.49 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.232 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.6 tt -68.65 -31.86 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.386 0.593 . . . . 0.0 110.545 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.556 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 8.1 t70 -75.92 -23.45 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.51 . . . . 0.0 109.727 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.41 -35.13 77.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.613 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.08 6.38 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.735 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 99.7 mttt -75.83 -45.75 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.817 0.342 . . . . 0.0 110.334 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.46 158.16 23.46 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 173.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.859 -177.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' A' ' 28' ' ' PRO . 28.1 m . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.16 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 111.64 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 32' ' ' THR . 3.0 p -99.66 163.42 12.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.369 . . . . 0.0 111.717 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HG3' ' OE2' ' A' ' 34' ' ' GLU . 23.2 ttmm -96.15 131.01 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.74 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.63 100.57 4.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.91 HG13 ' HB ' ' A' ' 60' ' ' VAL . 3.6 pt -95.47 125.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.231 0.539 . . . . 0.0 111.312 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' HE1' HD13 ' A' ' 68' ' ' ILE . 76.2 t80 -109.86 110.43 21.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.397 -175.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' HE1' HD12 ' A' ' 6' ' ' ILE . 61.0 m-85 -100.91 140.08 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.648 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.449 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 23.6 p80 -162.07 179.23 8.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.707 0.289 . . . . 0.0 110.827 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.81 17.57 11.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.84 55.03 4.64 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.307 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.46 154.9 39.59 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -52.95 -40.07 77.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.8 t -61.56 -34.03 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HG ' ' HB3' ' A' ' 57' ' ' PRO . 21.2 m -65.4 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.557 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.52 -44.86 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 m -65.05 -40.24 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.35 77.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.03 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.56 -47.28 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.061 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -79.35 -15.17 58.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.694 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 -68.8 0.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.06 -53.11 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.708 0.289 . . . . 0.0 111.403 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB1' HG12 ' A' ' 33' ' ' VAL . . . -75.81 3.52 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.061 0.457 . . . . 0.0 111.489 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -110.62 -26.52 9.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.964 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.92 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.586 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.87 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.762 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 10.7 t70 -92.27 132.84 31.16 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.644 ' O ' ' HA ' ' A' ' 1' ' ' VAL . 52.9 Cg_exo -55.47 -29.85 70.91 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.128 2.552 . . . . 0.0 113.264 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -67.49 -29.86 69.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -79.58 -73.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.313 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 67.5 m-85 -121.95 139.42 53.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.199 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 3' ' ' SER . 6.5 t -92.3 114.74 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.07 0.462 . . . . 0.0 109.812 175.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' HB1' ' A' ' 23' ' ' ALA . 46.2 t -80.83 105.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 38.8 mt-10 -103.31 102.64 12.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.043 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.71 128.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.58 120.2 57.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -85.68 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.844 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -81.52 -6.22 58.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.84 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.48 40.6 2.7 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.617 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.4 -60.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.366 . . . . 0.0 111.195 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -120.18 135.11 55.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 -173.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.33 -27.97 52.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.027 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.95 -36.0 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.908 0.385 . . . . 0.0 110.417 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -72.75 -11.24 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.402 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 71.1 mt -66.22 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 171.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.24 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.18 -43.37 98.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.801 175.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.64 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.728 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 40.2 mt-10 -63.22 -37.94 89.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.7 -39.26 87.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -35.35 80.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.892 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.45 7.79 11.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.286 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.53 123.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.431 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -122.46 -12.76 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.68 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.588 ' HG ' ' CD2' ' A' ' 67' ' ' HIS . 4.8 p -156.52 169.61 24.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.983 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.55 144.09 45.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.671 0.272 . . . . 0.0 110.668 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HB3' ' HG ' ' A' ' 15' ' ' CYS . 77.8 Cg_endo -83.97 154.21 67.54 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.013 -1.661 . . . . 0.0 112.915 -1.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -130.4 130.55 44.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.376 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.4 tp -105.3 104.61 14.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.853 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.91 ' HB ' HG13 ' A' ' 6' ' ' ILE . 44.1 t -92.17 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.211 0.529 . . . . 0.0 110.223 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' GLY . 73.9 mt -93.32 114.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.283 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 70.92 -45.01 0.6 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.879 0.737 . . . . 0.0 112.203 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 178.09 -23.08 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.267 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.57 139.21 30.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.58 0.229 . . . . 0.0 110.421 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.63 116.91 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.55 105.1 13.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.839 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.588 ' CD2' ' HG ' ' A' ' 55' ' ' SER . 62.6 m80 -72.49 143.78 48.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 ' HB3' ' B' ' 66' ' ' PHE . 58.3 mt -117.74 95.25 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.579 0.228 . . . . 0.0 110.448 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.97 103.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.18 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -63.31 108.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.976 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.37 -55.7 0.8 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.419 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.31 165.16 27.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -103.85 166.28 15.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.752 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.7 tt -67.61 -27.57 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 0.0 110.013 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 5.9 m-20 -64.45 -26.17 68.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.23 -36.58 84.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.559 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -93.61 -22.5 18.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.275 0.56 . . . . 0.0 110.518 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 50.8 tttm -77.91 -28.85 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.731 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.23 -58.19 5.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.333 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.406 ' C ' ' HZ3' ' A' ' 78' ' ' LYS . 16.8 p . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.615 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 30' ' ' LYS . . . -149.46 -76.1 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.271 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -100.65 179.92 4.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.05 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' B' ' 6' ' ' ILE . 22.4 ttmm -112.3 133.32 54.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.321 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.12 100.47 4.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.145 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.51 HD11 ' HD3' ' B' ' 4' ' ' LYS . 43.7 mt -95.46 136.42 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.566 -175.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.564 ' HE1' HD11 ' B' ' 68' ' ' ILE . 68.7 t80 -118.52 116.78 27.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -105.75 130.04 53.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.679 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 14.6 p80 -155.7 164.04 39.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.734 175.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.28 13.05 10.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.846 0.355 . . . . 0.0 111.138 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.64 98.37 1.41 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.734 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 p -171.0 155.94 4.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.46 -27.76 41.54 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.093 2.529 . . . . 0.0 113.035 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.61 -50.98 75.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.658 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 18.5 p -77.1 -24.57 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.416 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.54 -54.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.6 m -66.99 -35.1 79.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.9 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.0 tt0 -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.456 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.56 -39.84 95.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.594 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.09 -63.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.02 -43.68 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.754 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 19' ' ' GLU . . . -72.47 -10.13 59.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.453 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -105.77 -7.16 18.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.462 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -81.78 -38.08 26.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -83.65 134.41 27.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.6 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.92 126.07 66.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.668 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 25.1 Cg_endo -61.92 -17.78 57.51 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.459 2.772 . . . . 0.0 113.532 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -67.5 -25.75 66.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 0.0 110.135 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 2' ' ' ALA . 45.7 mtmt -107.29 -34.02 7.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 51.4 m-85 -130.69 127.55 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.3 -0.25 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -86.75 121.68 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.64 104.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.544 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.15 94.48 6.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.005 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' B' ' 7' ' ' PHE . 71.8 mt -85.87 121.03 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.44 124.2 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -89.71 108.49 19.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.551 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.429 HD13 HG12 ' B' ' 56' ' ' VAL . 93.6 mt -80.12 -6.28 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.345 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.42 -34.9 15.45 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 95.1 m -74.08 -44.2 54.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.478 . . . . 0.0 110.412 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -125.16 104.15 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.64 4.71 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 109.612 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -65.07 -19.74 66.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.8 -36.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.336 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.621 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -63.28 -37.43 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.411 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.42 -46.18 87.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.108 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.522 ' HB3' ' HB ' ' B' ' 53' ' ' VAL . . . -61.67 -37.58 84.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.652 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.89 -37.72 88.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.057 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 83.4 mttt -59.54 -53.02 62.95 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 110.487 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.84 89.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.25 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.71 34.41 0.86 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.462 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' B' ' 48' ' ' ALA . 58.1 t -79.33 115.88 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.8 -31.37 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.446 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.5 m -146.56 150.88 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.855 0.36 . . . . 0.0 111.444 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.622 HG21 ' HD2' ' B' ' 57' ' ' PRO . 12.0 m -79.96 -162.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.518 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.271 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.679 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 11.14 86.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 123.68 2.92 . . . . 0.0 114.88 -136.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.2 154.77 42.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 113.782 -1.554 . . . . 0.0 109.608 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' B' ' 68' ' ' ILE . 56.4 tp -113.6 121.53 44.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 0.0 110.618 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.432 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 47.2 t -98.96 103.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.034 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -92.74 107.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 66.15 -65.99 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.187 0.929 . . . . 0.0 112.036 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.08 11.31 0.49 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.302 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.1 55.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.777 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.64 119.77 32.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.05 0.452 . . . . 0.0 111.324 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.471 ' HB3' HG22 ' A' ' 68' ' ' ILE . 93.9 m-85 -116.6 103.66 10.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.009 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.442 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 74.6 m80 -68.06 123.41 20.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.173 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.564 HD11 ' HE1' ' B' ' 7' ' ' PHE . 54.9 mt -92.4 101.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 61.43 -160.48 0.3 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -170.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.0 98.67 8.34 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -94.65 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.167 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.92 128.9 23.51 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.244 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.6 137.4 46.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.475 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 tt -67.83 -25.51 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 117.261 0.531 . . . . 0.0 110.197 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -36.51 71.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.276 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.39 -27.61 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.744 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.37 -58.37 2.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.192 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.06 -38.09 66.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.393 -174.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.67 54.78 2.15 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.396 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.368 -178.069 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.27 0.557 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.14 141.34 33.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -66.83 145.38 55.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.291 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' THR . 21.7 pttp -86.39 120.24 27.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.53 0.681 . . . . 0.0 111.111 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' HB2' HD21 ' A' ' 59' ' ' LEU . . . -85.7 114.62 22.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.38 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 6.3 mt -95.2 118.21 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.931 0.396 . . . . 0.0 110.889 -173.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.32 102.56 14.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.739 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -92.26 124.47 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p80 -149.02 170.8 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 175.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.33 18.7 9.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.648 0.261 . . . . 0.0 111.567 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.62 61.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 41.2 t -74.82 143.07 77.61 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 9.4 Cg_endo -51.56 -26.26 21.82 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.907 2.404 . . . . 0.0 112.77 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.39 -38.99 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.526 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 30.3 p -75.78 -19.31 59.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.507 -172.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.47 -45.02 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 110.129 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -65.42 -44.79 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.64 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.321 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.12 -53.16 49.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.79 1.13 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.47 -67.76 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.3 -51.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.115 -175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.76 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -87.11 -35.96 18.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -35.1 77.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.706 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -81.43 92.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.9 OUTLIER -86.16 165.03 36.13 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.697 -178.359 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 27' ' ' ASP . 11.5 Cg_endo -55.97 -21.98 36.48 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.104 2.536 . . . . 0.0 114.22 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.5 t -80.84 -14.99 57.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.193 0.521 . . . . 0.0 110.139 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE2' ' HA ' ' B' ' 25' ' ' ALA . 50.2 tptt -92.29 -59.35 2.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -149.1 164.42 34.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.623 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 28.7 m -78.27 121.3 24.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.11 125.89 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.826 0.346 . . . . 0.0 111.131 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 39.9 tt0 -132.5 114.34 14.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.48 130.63 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.653 0.263 . . . . 0.0 110.622 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.65 128.81 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -93.03 116.59 29.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.634 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.96 -4.82 39.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.538 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.32 38.96 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.92 -173.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -157.89 -64.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.912 0.387 . . . . 0.0 110.478 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -86.43 112.52 21.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.138 0.494 . . . . 0.0 110.718 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 45' ' ' ILE . 48.6 mttp -74.91 -22.21 58.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.685 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.75 66.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.226 0.536 . . . . 0.0 110.772 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -84.04 -22.4 31.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.052 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 42' ' ' LYS . 1.8 mp -64.62 -43.11 96.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.113 177.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.199 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -83.63 -36.87 23.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.667 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.01 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.67 -30.36 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.35 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -40.97 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.8 -11.48 60.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.89 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.86 7.54 29.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.553 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -80.51 105.3 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.375 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.67 -18.86 13.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.376 0.608 . . . . 0.0 110.251 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -144.92 167.86 21.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.807 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.35 144.17 48.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.771 0.32 . . . . 0.0 110.36 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.567 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 91.5 Cg_endo -82.3 148.1 67.33 Favored 'Cis proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.968 -1.68 . . . . 0.0 113.126 0.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.57 122.4 34.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.153 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 5' ' ' ALA . 2.2 tt -105.83 110.96 23.43 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.6 t -83.27 103.16 10.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.238 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.18 104.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.516 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.45 40.13 27.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.047 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.08 -23.29 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.02 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.82 116.89 29.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 110.777 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.61 119.37 23.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 0.0 111.58 -178.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -117.72 114.2 22.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.525 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.9 m80 -76.45 138.33 40.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.508 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' B' ' 66' ' ' PHE . 43.3 mm -116.59 96.74 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.541 -177.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 66.46 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.231 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.91 106.14 1.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.038 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.82 -49.29 0.85 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.75 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.38 158.43 44.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.567 0.222 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.7 145.32 15.94 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 45' ' ' ILE . 12.4 tt -74.07 -22.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.257 0.551 . . . . 0.0 110.3 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 23.4 t70 -76.08 -27.73 57.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.202 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.436 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.38 10.9 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.357 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.591 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 93.0 mttt -99.16 5.22 46.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.91 -97.9 1.09 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.842 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.74 -176.025 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.96 0.409 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.26 129.3 55.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.002 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' B' ' 31' ' ' TYR . 3.7 m -68.45 174.44 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.026 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.489 ' HE3' HD12 ' B' ' 6' ' ' ILE . 58.6 pttt -125.95 157.52 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.38 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.511 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -116.45 114.4 24.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.813 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.489 HD12 ' HE3' ' B' ' 4' ' ' LYS . 17.1 mt -96.61 110.47 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.459 ' HD1' ' HB2' ' B' ' 59' ' ' LEU . 79.3 t80 -96.49 113.87 25.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.826 0.345 . . . . 0.0 110.212 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.127 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.685 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -145.21 -178.84 6.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.864 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.36 21.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.25 77.82 1.25 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.059 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 45.5 m -138.47 149.87 64.35 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.47 -37.81 89.79 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.801 2.334 . . . . 0.0 111.792 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.22 -39.12 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.781 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.685 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 27.3 m -65.58 -36.73 84.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.07 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 47.3 t -63.33 -55.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.309 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -37.43 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.213 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.52 87.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 111.012 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' HB1' ' B' ' 23' ' ' ALA . 43.1 tt0 -69.22 -34.27 74.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.735 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 68.9 mt-30 -92.27 -2.31 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.632 -176.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.55 -67.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.506 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.64 -48.31 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' B' ' 19' ' ' GLU . . . -78.78 7.58 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.876 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -108.2 -32.95 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.583 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -66.74 -37.0 83.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.651 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.0 mt -93.38 86.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.526 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 3.3 p30 -83.82 157.49 63.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.491 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 27.9 Cg_endo -62.23 -5.9 7.35 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.36 2.707 . . . . 0.0 114.138 -174.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -84.1 -14.97 49.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.446 0.641 . . . . 0.0 109.524 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -103.36 -58.43 1.88 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.584 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 95.8 m-85 -140.49 155.96 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.788 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.6 p -90.6 129.51 36.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.805 0.335 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.77 126.68 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.787 0.327 . . . . 0.0 110.976 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -119.91 120.35 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.83 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' B' ' 7' ' ' PHE . 34.8 mm -96.16 125.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.152 -178.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.86 125.31 70.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 111.254 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -92.89 107.66 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.621 HD11 HG13 ' B' ' 56' ' ' VAL . 55.5 mt -72.66 -15.73 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.621 -175.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.48 7.22 61.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.785 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -107.96 -19.82 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 111.222 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -147.48 129.61 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.063 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' B' ' 45' ' ' ILE . 60.8 mttp -82.01 -31.83 30.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.328 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 110.904 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.985 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 42' ' ' LYS . 80.5 mt -63.22 -50.68 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.0 -34.4 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.411 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.45 -38.47 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -63.48 -40.89 98.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.96 -30.65 71.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 95.7 mttt -63.03 -45.15 93.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.066 0.46 . . . . 0.0 110.225 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.19 -20.89 60.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.731 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 10.05 12.87 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 47.0 t -84.0 111.37 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -110.33 -3.2 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.318 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 47.8 m -144.21 149.32 36.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.867 0.365 . . . . 0.0 111.385 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.621 HG13 HD11 ' B' ' 38' ' ' LEU . 8.4 m -85.3 -168.55 0.19 Allowed Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.654 ' HG3' ' SG ' ' B' ' 15' ' ' CYS . 6.3 Cg_exo 12.4 85.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 123.375 2.717 . . . . 0.0 114.577 -135.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -147.39 157.29 43.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.795 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.511 HD21 ' HB1' ' B' ' 5' ' ' ALA . 10.1 tt -133.9 129.51 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.059 0.457 . . . . 0.0 110.614 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 5' ' ' ALA . 63.4 t -101.24 113.63 37.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.788 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -90.94 111.97 24.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.84 -69.18 0.17 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.856 0.722 . . . . 0.0 110.93 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.95 16.05 0.24 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.928 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.99 125.58 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 110.246 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.21 120.29 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.591 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.423 ' HB3' HG21 ' A' ' 68' ' ' ILE . 80.4 m-85 -119.84 103.31 9.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.014 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.9 m80 -71.31 125.4 26.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.851 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.5 107.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.462 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.4 m-20 62.99 -161.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.206 -173.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -109.2 94.2 4.91 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.4 -97.03 0.2 Allowed Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.567 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -139.82 164.28 30.37 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.202 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' B' ' 76' ' ' ASP . . . -75.27 151.74 42.4 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.804 -1.188 . . . . 0.0 110.386 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.2 tt -70.08 -19.3 22.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 117.58 0.69 . . . . 0.0 109.917 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.22 -14.47 58.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' B' ' 73' ' ' GLY . 2.4 m-20 -64.04 -33.94 76.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.144 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.421 HD11 HG11 ' B' ' 56' ' ' VAL . 69.2 mt -70.59 -27.59 64.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -76.9 -28.41 55.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.545 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.73 -157.04 35.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.754 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.778 -0.63 . . . . 0.0 110.216 179.028 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -72.32 108.73 5.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.51 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 23.2 t -79.28 148.65 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.448 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.513 ' HE3' HD13 ' A' ' 6' ' ' ILE . 62.8 tttp -76.01 114.24 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.608 -178.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.71 107.23 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.866 0.365 . . . . 0.0 110.765 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.513 HD13 ' HE3' ' A' ' 4' ' ' LYS . 51.3 mt -95.1 125.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 110.698 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -99.9 100.52 11.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 57' ' ' PRO . 72.9 m-85 -88.9 128.41 35.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.842 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 p80 -148.51 156.84 42.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . . . -142.07 13.29 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.87 -109.87 1.46 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.004 -1.093 . . . . 0.0 111.499 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.503 ' O ' HG21 ' A' ' 16' ' ' VAL . 44.4 t -174.46 -64.11 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.057 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 10.2 Cg_endo -50.27 -72.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.677 2.251 . . . . 0.0 113.604 -171.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.99 -22.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.317 0.58 . . . . 0.0 110.997 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 56.2 m -69.97 -47.23 63.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.898 -177.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 12' ' ' CYS . 90.6 t -66.07 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.627 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 m -56.3 -45.56 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.0 110.27 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.55 58.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 25.9 tt0 -64.67 -43.79 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.015 0.436 . . . . 0.0 110.83 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.05 -30.31 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.787 -177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 -66.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.49 -47.29 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.663 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.32 -16.11 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -102.2 -14.9 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.685 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.09 -31.55 56.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.197 0.523 . . . . 0.0 109.833 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -87.68 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.472 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -86.09 130.77 48.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.02 -12.67 36.39 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.062 2.508 . . . . 0.0 113.413 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -101.31 -1.2 34.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.405 0.621 . . . . 0.0 110.147 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 51.3 tttp -100.24 -42.55 6.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.601 174.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 54.4 m-85 -136.04 138.73 42.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.395 175.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -83.05 93.95 7.69 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.94 112.9 19.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.18 110.65 22.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.288 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.13 116.3 29.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.71 0.29 . . . . 0.0 110.572 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.09 124.28 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.93 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.531 ' HA ' ' O ' ' A' ' 9' ' ' HIS . 38.7 t-80 -98.51 109.76 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.163 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 91.6 mt -73.37 -11.36 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.45 -19.77 65.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.871 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -94.74 -35.2 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.024 0.44 . . . . 0.0 110.726 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.0 119.04 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.356 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -83.29 -17.46 42.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.499 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -34.23 43.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 0.0 110.378 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -63.97 -21.03 66.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.052 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.51 -40.91 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.062 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -68.56 -38.18 80.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.03 -47.83 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.088 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.515 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -61.85 -40.41 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.248 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.6 -45.13 95.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 98.0 mttt -65.52 -32.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.707 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.88 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.67 15.75 7.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.919 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 53.9 t -75.95 117.13 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.218 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -97.01 -33.47 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.349 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -145.89 166.78 24.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 111.08 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.842 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 29.6 m -130.53 152.18 79.93 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.962 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 74.4 Cg_endo -76.53 149.27 90.84 Favored 'Cis proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.099 -1.626 . . . . 0.0 112.697 1.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.08 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 tp -99.16 103.14 15.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.824 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.86 99.47 9.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.67 105.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.51 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.34 29.04 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.456 0.646 . . . . 0.0 111.315 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.78 -24.01 20.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.69 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.23 111.79 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.845 0.355 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.32 112.39 20.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.36 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.31 100.42 9.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.988 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -67.97 131.78 46.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.099 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' HB3' ' B' ' 66' ' ' PHE . 57.7 mt -108.08 100.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 62.24 -164.85 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.039 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -128.04 110.73 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.99 -64.16 0.57 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.449 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 151.18 46.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.28 152.89 16.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.716 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.72 -24.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.426 0.631 . . . . 0.0 109.91 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.46 -24.45 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.376 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -85.14 -32.73 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.67 -20.45 64.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.631 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -76.52 81.35 3.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.954 0.407 . . . . 0.0 111.398 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.29 -45.57 3.38 Favored Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.427 173.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.098 -174.218 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.63 122.33 26.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.43 ' HB3' ' OD1' ' B' ' 62' ' ' ASP . 25.4 m -71.11 157.82 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.678 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -107.69 149.74 27.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.721 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.482 ' HB2' HD22 ' B' ' 59' ' ' LEU . . . -122.9 117.39 25.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.485 177.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.82 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.5 pt -99.55 119.14 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 111.288 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' B' ' 35' ' ' ILE . 81.3 t80 -100.78 119.53 38.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.83 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.52 128.74 52.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.293 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -158.4 165.87 33.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.754 173.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.63 23.26 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.21 73.74 1.27 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.664 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.428 ' O ' HG22 ' B' ' 16' ' ' VAL . 58.4 m -127.01 148.55 66.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.85 -18.49 64.91 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.339 2.026 . . . . 0.0 112.093 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.44 -43.48 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.255 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.745 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 17.0 p -76.58 -20.33 56.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.699 -173.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 12' ' ' CYS . 97.1 t -56.47 -48.58 79.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.027 0.442 . . . . 0.0 110.364 177.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.8 m -63.69 -41.48 98.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.658 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.28 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.104 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.9 tt0 -67.72 -29.79 69.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -93.9 -23.86 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 -60.97 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.03 -39.81 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.721 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -80.83 9.57 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.71 -21.42 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 169.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.7 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.8 -45.42 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -101.26 97.56 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.45 144.86 62.39 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 42.6 Cg_exo -58.69 -17.79 37.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.369 2.713 . . . . 0.0 113.341 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 -10.58 50.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.016 0.436 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -99.9 -47.92 4.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 96.1 m-85 -135.59 143.06 45.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.594 173.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -71.46 96.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.995 0.426 . . . . 0.0 111.07 -175.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.72 122.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.923 0.392 . . . . 0.0 110.544 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -121.44 119.85 33.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.173 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' B' ' 7' ' ' PHE . 48.2 mm -89.32 127.58 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.516 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.542 HG13 ' HD3' ' B' ' 44' ' ' ARG . 38.6 t -114.06 104.07 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.287 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -90.58 108.67 19.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.04 -15.98 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.178 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.91 -19.15 73.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.379 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -82.01 -43.82 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.222 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.784 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 62.1 m-20 -133.1 119.83 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.09 -17.4 64.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 109.883 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.3 73.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.48 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.784 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 79.7 mtt-85 -71.78 -20.74 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.7 -38.75 90.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.375 177.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.534 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 33.1 mt-10 -62.56 -36.45 82.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.77 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.07 -46.25 90.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.58 -34.67 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 92.1 mttt -61.49 -36.6 80.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.653 177.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 -23.32 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.43 10.9 24.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.469 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 46.7 t -69.62 120.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -105.0 -15.77 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.9 m -145.09 147.77 32.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.63 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.45 -175.01 0.4 Allowed Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.745 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 2.5 Cg_exo 13.82 89.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.467 3.444 . . . . 0.0 115.675 -136.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.05 152.97 40.19 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.244 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' B' ' 5' ' ' ALA . 7.2 tt -125.08 126.92 46.11 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.82 ' HB ' HG13 ' B' ' 6' ' ' ILE . 53.5 t -109.07 116.55 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.075 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' B' ' 63' ' ' GLY . 61.0 mt -96.12 107.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.277 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' B' ' 3' ' ' SER . 7.7 m-20 68.49 -32.5 0.21 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.506 0.722 . . . . 0.0 112.901 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 166.69 -18.78 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 -175.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.39 121.59 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.73 -0.277 . . . . 0.0 110.257 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.5 121.96 31.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 111.71 -176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.477 ' HB3' HG22 ' A' ' 68' ' ' ILE . 89.9 m-85 -120.48 103.75 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.909 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -66.53 123.45 20.06 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 50.7 mm -105.25 98.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 61.1 96.83 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.953 0.783 . . . . 0.0 109.392 -170.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -41.97 105.53 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.159 0.912 . . . . 0.0 111.755 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.24 -93.87 0.4 Allowed Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.688 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.455 ' HB1' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 154.93 47.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.66 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.3 123.27 11.91 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.104 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -69.06 -27.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.068 0.461 . . . . 0.0 110.898 -175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.66 -24.82 58.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.62 -24.64 65.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.0 mt -73.53 -3.49 28.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.98 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.19 -16.0 36.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.199 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.57 92.24 0.71 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.25 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.09 177.515 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.992 0.425 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.0 155.72 28.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.283 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -69.99 134.38 48.27 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HE3' HD12 ' A' ' 6' ' ' ILE . 59.1 pttt -96.9 147.49 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.63 0.729 . . . . 0.0 112.04 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 61' ' ' ILE . . . -113.99 120.66 41.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.891 173.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 16.1 mt -94.98 114.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.915 0.388 . . . . 0.0 110.304 -175.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.597 ' HE1' HD12 ' A' ' 68' ' ' ILE . 44.5 t80 -96.87 100.02 11.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.104 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.68 124.69 34.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.47 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 22.4 p80 -150.24 -179.55 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.844 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.67 18.86 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.94 54.94 18.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.758 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -124.08 151.74 65.93 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -44.03 -44.48 12.22 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.437 2.758 . . . . 0.0 113.624 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.7 -49.14 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.549 0.214 . . . . 0.0 111.537 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 29.2 p -75.48 -30.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.044 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.65 -37.4 77.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.309 175.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -67.05 -40.39 87.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.394 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.91 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 40.1 tt0 -62.92 -33.1 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.608 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -83.92 -39.03 20.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.182 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.0 -70.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.57 -41.39 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.755 0.312 . . . . 0.0 111.305 -173.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 19' ' ' GLU . . . -76.98 4.82 9.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.614 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -117.08 -24.54 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.97 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.0 112.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.14 118.88 43.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.43 -12.81 35.01 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.26 2.64 . . . . 0.0 112.947 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -100.72 4.43 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.156 0.503 . . . . 0.0 110.015 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -117.87 -35.41 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.26 135.14 44.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.035 171.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.2 m -74.25 104.19 4.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.074 0.464 . . . . 0.0 110.937 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.3 110.25 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.156 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 36.9 tt0 -113.02 112.63 24.2 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.43 130.05 47.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -175.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -130.09 130.78 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.681 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.91 120.3 23.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 tm? -91.57 -23.24 19.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.65 0.69 88.21 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.611 -172.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -101.03 -37.86 8.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.226 0.513 . . . . 0.0 111.673 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.52 132.83 55.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.935 0.398 . . . . 0.0 111.577 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.22 -4.39 58.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.784 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -35.86 41.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.002 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -72.78 -16.02 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 177.014 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 74' ' ' ILE . 52.8 mt -63.07 -38.56 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 109.959 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.99 78.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' OE2' ' HG3' ' A' ' 44' ' ' ARG . 41.4 mt-10 -67.73 -36.56 80.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 175.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.17 -44.5 96.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.789 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.18 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -75.32 -29.59 60.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.999 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.18 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.32 29.88 3.55 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 87.7 t -83.51 126.0 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.775 0.322 . . . . 0.0 110.305 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 74' ' ' ILE . 98.4 mttt -105.77 -37.51 6.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.484 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 26.0 p -151.32 157.51 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.142 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 35.0 m -98.57 147.98 33.9 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HG3' ' CB ' ' A' ' 15' ' ' CYS . 1.2 Cg_endo -80.2 133.05 25.84 Favored 'Cis proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.95 -1.271 . . . . 0.0 112.733 3.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.06 31.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.589 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.87 100.58 12.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.725 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.25 97.67 7.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 63' ' ' GLY . 55.1 mt -90.86 106.04 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 71.31 -32.4 0.25 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.821 0.7 . . . . 0.0 112.07 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.34 -20.72 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.03 118.77 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 110.253 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.2 123.39 33.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.36 112.21 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.948 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' HD2' ' O ' ' A' ' 55' ' ' SER . 72.5 m80 -82.15 121.2 26.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.562 -177.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.597 HD12 ' HE1' ' A' ' 7' ' ' PHE . 48.8 mt -94.4 96.51 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 63.11 -165.37 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -120.21 112.29 18.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.41 -77.55 1.24 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.414 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 132.11 29.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -88.62 145.09 18.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.324 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.472 HD13 HG22 ' A' ' 45' ' ' ILE . 14.6 tt -66.91 -29.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.03 -40.79 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.517 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.57 -18.74 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -74.29 -26.85 60.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.719 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.5 -57.67 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.691 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.21 -115.24 0.6 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.257 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.708 178.395 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.964 0.411 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.1 126.87 49.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -67.02 142.98 57.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -97.63 145.88 25.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.489 0.661 . . . . 0.0 111.762 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.5 ' HB1' HD23 ' B' ' 59' ' ' LEU . . . -120.21 116.61 25.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.179 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 35.9 mt -101.86 114.2 40.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -173.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -96.52 122.09 39.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -106.54 133.05 51.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.499 ' HA ' ' HB ' ' B' ' 56' ' ' VAL . 8.0 p80 -154.25 -179.43 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.394 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 25.27 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.666 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.89 59.95 5.22 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.978 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.503 ' O ' HG21 ' B' ' 16' ' ' VAL . 20.0 m -117.17 148.27 42.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -52.29 -35.52 64.41 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.581 2.187 . . . . 0.0 112.157 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.41 -46.97 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.478 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.919 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 25.7 p -77.92 -18.37 56.2 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.469 -175.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.503 HG21 ' O ' ' B' ' 12' ' ' CYS . 95.9 t -60.36 -53.76 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 109.752 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.4 m -64.02 -41.93 97.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.47 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.26 96.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.275 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -63.09 -50.77 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.07 -4.67 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.07 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 -66.13 1.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.89 -50.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 -175.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.68 -0.68 27.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.051 0.453 . . . . 0.0 110.926 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -93.49 -37.81 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.36 70.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.461 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.97 94.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' B' ' 29' ' ' SER . 4.6 p-10 -91.59 156.33 43.16 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.818 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 32.6 Cg_exo -60.08 -16.98 42.66 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.49 2.793 . . . . 0.0 114.305 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.436 ' HB2' ' OD2' ' B' ' 27' ' ' ASP . 51.0 m -79.72 -10.78 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 110.435 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -107.32 -51.82 2.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 58.4 m-85 -137.37 138.1 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.745 176.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 22.9 m -73.94 107.82 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.887 0.375 . . . . 0.0 110.478 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.67 124.33 38.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.032 0.444 . . . . 0.0 111.275 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 13.5 tp10 -117.9 111.14 18.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.64 122.79 54.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 52.9 t -119.58 125.15 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.216 0.531 . . . . 0.0 111.176 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -89.81 113.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.468 HD13 ' CG1' ' B' ' 56' ' ' VAL . 68.7 mt -84.63 -5.99 59.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.821 0.343 . . . . 0.0 111.601 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.44 49.3 2.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.797 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -153.29 -45.77 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.42 126.61 46.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.42 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -72.82 -19.62 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.209 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -68.42 -32.2 72.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 110.049 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' B' ' 47' ' ' GLU . 69.2 mmt-85 -68.54 -32.87 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.223 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.416 HG21 HD11 ' B' ' 74' ' ' ILE . 73.4 mt -62.48 -41.48 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.121 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.41 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.608 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 42.7 mt-10 -66.72 -32.18 73.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -62.3 -55.97 22.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.98 -29.78 71.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -63.82 -37.15 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.137 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.56 26.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.79 5.66 10.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.898 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.454 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 22.6 t -80.11 98.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.82 -5.19 35.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.533 ' HB3' ' CD2' ' B' ' 67' ' ' HIS . 37.9 t -147.52 144.5 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.574 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 6.9 m -76.52 -168.21 0.14 Allowed Pre-proline 0 C--O 1.238 0.494 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.919 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 5.8 Cg_exo 15.22 85.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 123.713 2.942 . . . . 0.0 114.8 -136.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.29 156.32 41.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.504 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.5 HD23 ' HB1' ' B' ' 5' ' ' ALA . 6.7 tt -128.79 126.03 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.034 0.445 . . . . 0.0 110.305 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 54.0 t -97.3 119.05 44.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.76 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -102.1 108.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.71 -48.89 0.66 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.896 0.748 . . . . 0.0 111.799 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.12 -27.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.097 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.63 126.03 33.6 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.805 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.371 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -118.12 116.8 27.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.809 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' HB3' ' B' ' 55' ' ' SER . 70.4 m80 -75.09 125.04 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -112.49 100.57 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 61.89 99.18 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.5 -170.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -44.92 105.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.008 0.818 . . . . 0.0 111.44 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.428 ' HA3' ' HG2' ' B' ' 57' ' ' PRO . . . -80.39 -90.81 0.49 Allowed Glycine 0 N--CA 1.437 -1.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.811 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.518 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.69 133.04 30.02 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.826 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.26 142.08 36.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.886 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.416 HD11 HG21 ' B' ' 45' ' ' ILE . 10.8 tp -60.36 -28.88 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 111.248 -176.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.35 -21.4 53.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.759 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.71 -28.63 63.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.447 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.78 -25.38 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.687 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -72.95 -51.03 19.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.647 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.27 25.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.001 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.441 177.158 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.32 130.16 54.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.634 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.2 m -76.32 147.36 38.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.719 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.38 115.26 18.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.082 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.33 110.67 14.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.483 HG12 ' OE1' ' A' ' 34' ' ' GLU . 4.5 mt -96.56 128.67 47.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.887 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -107.49 99.1 8.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -90.16 123.67 34.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 18.8 p80 -141.79 171.93 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.294 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.35 15.63 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.63 19.68 78.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.734 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 m -78.91 149.17 73.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.68 -27.63 62.01 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 112.348 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.14 -31.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.779 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 42.4 m -72.71 -27.92 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.85 -50.59 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.297 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -59.01 -41.42 87.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.361 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.9 tt0 -67.0 -42.52 84.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.62 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -58.95 -56.79 17.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.874 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.28 -58.36 2.4 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -174.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.24 -49.0 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.657 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.16 -14.26 62.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -105.88 1.12 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.62 -29.27 15.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.621 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' HB2' ' B' ' 25' ' ' ALA . 78.5 mt -66.02 120.84 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.6 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.09 126.13 75.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.126 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.98 -19.67 33.4 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.477 2.785 . . . . 0.0 113.495 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.9 p -72.68 -11.64 60.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.671 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' B' ' 27' ' ' ASP . 63.1 mttm -109.36 -51.98 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.634 ' CD2' ' HB2' ' A' ' 3' ' ' SER . 71.5 m-85 -131.63 149.62 52.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.274 -174.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 m -99.22 109.71 22.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.5 t -84.33 104.48 12.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.945 0.402 . . . . 0.0 110.804 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' OE1' HG12 ' A' ' 6' ' ' ILE . 39.7 mt-10 -88.48 106.65 18.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.365 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mm -78.91 108.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.69 115.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.434 . . . . 0.0 111.436 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -88.39 117.12 27.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.803 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.73 -24.21 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 112.02 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.85 39.01 2.17 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.093 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -133.36 -42.03 0.87 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -133.82 129.5 36.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.463 ' HA ' HG12 ' A' ' 45' ' ' ILE . 59.9 mttp -88.95 0.42 56.65 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.77 -31.89 25.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -71.52 -8.93 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.488 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.463 HG12 ' HA ' ' A' ' 42' ' ' LYS . 48.6 mm -61.7 -45.54 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.65 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.01 -47.5 86.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.111 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.2 91.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.73 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.74 -42.93 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -69.33 -27.58 65.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.253 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.05 59.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 0.0 111.1 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.17 10.31 39.68 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.59 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.91 114.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.71 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' HG ' ' A' ' 55' ' ' SER . 90.2 mttt -99.26 -25.22 14.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.818 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 54' ' ' LYS . 48.2 m -155.11 168.19 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.1 m -117.13 146.37 37.93 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.585 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.779 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 79.5 Cg_endo -83.56 146.55 54.71 Favored 'Cis proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.908 -0.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.55 129.68 49.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD23 HD12 ' A' ' 26' ' ' ILE . 60.4 tp -102.77 102.98 13.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.158 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.1 t -85.81 97.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 0.0 109.87 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.65 100.72 11.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.829 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 62.04 16.39 8.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.416 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.42 -21.69 6.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.748 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.93 123.84 38.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.747 0.273 . . . . 0.0 110.581 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.18 24.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.02 0.438 . . . . 0.0 111.445 -175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.8 m-85 -115.91 104.75 11.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.324 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.2 m80 -71.45 146.53 48.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.689 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -132.2 105.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 123.296 0.373 . . . . 0.0 110.106 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 66.16 106.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.08 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.95 100.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.03 -66.6 0.99 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.845 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.41 142.1 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.51 153.81 30.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.204 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.04 -26.04 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.69 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.721 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.17 -31.15 65.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.918 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.47 -35.55 53.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.0 110.555 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.06 -40.24 53.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.49 48.45 1.04 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.235 -178.094 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.12 43.41 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.013 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -63.57 166.96 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.244 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' B' ' 32' ' ' THR . 2.3 pttp -87.07 121.97 30.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.462 0.649 . . . . 0.0 111.202 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.45 119.62 34.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.204 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.52 114.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.0 0.429 . . . . 0.0 111.278 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' B' ' 35' ' ' ILE . 53.4 t80 -94.56 98.09 10.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.41 ' CD2' HG21 ' B' ' 53' ' ' VAL . 57.1 m-85 -85.21 118.12 24.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.736 0.303 . . . . 0.0 110.23 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 6.3 p80 -135.27 -175.88 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.546 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.96 22.6 2.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.9 61.81 2.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.223 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 35.9 m -129.49 156.46 78.57 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.72 -33.57 96.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.617 2.212 . . . . 0.0 111.627 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.21 -39.88 53.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.658 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 4.5 m -71.12 -30.28 66.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.667 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 20' ' ' GLN . 41.2 t -72.5 -48.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -64.71 -39.57 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.79 75.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.87 -42.83 89.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' B' ' 16' ' ' VAL . 47.6 mm-40 -79.32 -16.75 55.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.722 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 -64.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.821 0.343 . . . . 0.0 111.802 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.18 -48.82 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.26 -11.79 60.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -83.79 -36.19 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.127 0.489 . . . . 0.0 109.88 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.515 ' HB2' HG22 ' A' ' 26' ' ' ILE . . . -67.84 -36.66 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.859 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -88.96 106.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.635 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 11.6 t70 -65.46 134.49 95.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.056 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.09 -20.35 71.05 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.971 2.447 . . . . 0.0 112.931 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t -92.35 -15.65 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.585 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 51.7 tttp -82.54 -47.7 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.227 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -139.35 147.88 42.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 174.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' B' ' 4' ' ' LYS . 10.8 m -83.72 93.9 8.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.57 123.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.269 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.54 123.33 43.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.662 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' B' ' 7' ' ' PHE . 42.2 mt -99.12 118.14 45.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.993 0.425 . . . . 0.0 110.735 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.527 HG12 ' HD3' ' B' ' 44' ' ' ARG . 92.3 t -112.92 125.02 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.885 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -90.14 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.309 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.615 HD13 HG11 ' B' ' 56' ' ' VAL . 68.7 mt -86.36 -14.5 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 111.305 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.39 -10.16 81.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.332 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -106.11 -60.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.831 0.348 . . . . 0.0 111.319 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.65 135.35 37.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.234 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -88.19 -21.54 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.753 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.06 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.527 ' HD3' HG12 ' B' ' 36' ' ' VAL . 69.7 mtt85 -65.5 -27.0 68.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.971 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.521 . . . . 0.0 109.611 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.23 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.862 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -59.68 -38.12 80.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.008 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.56 -39.89 92.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.099 0.476 . . . . 0.0 110.713 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.81 -32.1 46.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.29 78.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.577 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.69 39.45 0.71 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 36.4 t -109.75 122.43 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.514 0.197 . . . . 0.0 110.518 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -101.27 -18.36 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.0 111.238 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.729 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 24.8 m -139.67 141.99 36.96 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.154 -177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.615 HG11 HD13 ' B' ' 38' ' ' LEU . 12.1 m -82.88 -173.35 0.43 Allowed Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.064 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.775 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.45 88.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.437 0 C-N-CA 124.196 3.264 . . . . 0.0 115.437 -136.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.694 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -145.0 162.39 37.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 113.247 -1.797 . . . . 0.0 109.575 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.29 117.11 24.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 0.0 110.741 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 44.9 t -96.57 101.18 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.89 116.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.98 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 64.22 12.39 7.08 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.595 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.51 -21.86 9.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.542 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.85 126.67 37.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 110.53 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.41 117.45 27.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.95 0.405 . . . . 0.0 111.487 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -112.97 110.15 20.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.8 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 60.3 m80 -73.14 134.6 44.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.694 HG13 ' HA ' ' B' ' 58' ' ' ALA . 4.3 mt -92.97 -171.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 76.2 m-20 -27.02 111.27 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.552 0.533 . . . . 0.0 110.254 166.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -48.11 101.59 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.319 1.012 . . . . 0.0 112.009 -167.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.19 -87.62 0.5 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' B' ' 56' ' ' VAL . . . -139.93 -176.27 4.52 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.684 176.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.729 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -109.95 162.27 12.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.141 174.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 tt -72.22 -24.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.4 -28.58 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.559 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.48 -47.43 67.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.031 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.56 -27.85 41.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.329 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -80.41 -35.95 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.08 52.61 26.95 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.124 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.108 -179.209 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.459 0.171 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.24 86.15 5.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.271 0.557 . . . . 0.0 110.097 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -99.55 170.2 8.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.265 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HE3' HD11 ' A' ' 6' ' ' ILE . 51.2 tptt -72.26 114.66 10.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.88 109.08 11.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.207 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 34' ' ' GLU . 28.8 mm -97.43 132.15 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.899 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.561 ' HD2' HG21 ' A' ' 35' ' ' ILE . 57.9 t80 -111.77 102.47 10.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -86.67 131.34 34.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.647 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 5.3 p80 -153.68 165.85 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.9 9.75 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.83 33.73 50.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.378 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 158.59 35.94 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.11 -40.65 68.1 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.667 2.244 . . . . 0.0 112.087 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.36 -36.37 72.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.564 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.757 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 60.5 m -67.42 -38.91 85.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.76 -45.62 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.286 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 m -61.51 -45.24 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.799 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.89 92.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.43 -59.63 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -69.01 -12.93 62.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -171.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.5 -63.67 1.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.95 -55.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.615 0.245 . . . . 0.0 111.569 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.59 74.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 111.194 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -73.86 -30.95 62.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.693 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.92 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.346 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.43 118.91 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.227 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 5.2 m-20 -69.33 128.07 92.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 15.0 Cg_exo -69.82 -3.5 12.18 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 111.061 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 t -95.52 -6.74 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.34 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -108.69 -50.82 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.747 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.663 ' HH ' ' HA ' ' B' ' 25' ' ' ALA . 89.6 m-85 -123.59 156.54 35.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.779 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 m -89.72 91.8 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.024 0.44 . . . . 0.0 110.229 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.54 110.26 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.544 ' HB3' HD12 ' A' ' 6' ' ' ILE . 35.4 tt0 -111.78 107.15 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.537 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.561 HG21 ' HD2' ' A' ' 7' ' ' PHE . 66.9 mt -88.74 125.5 41.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.043 -175.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.34 122.39 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -86.88 116.56 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.617 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.52 -5.74 55.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.606 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.07 47.5 3.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.2 m -157.48 -55.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.068 0.461 . . . . 0.0 110.759 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -104.29 131.68 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.639 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.82 -15.02 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.686 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.34 74.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.256 0.551 . . . . 0.0 109.927 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -72.96 -11.04 60.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.838 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.57 -40.55 86.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.12 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.073 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.03 -46.52 87.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.364 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . . . -65.61 -40.51 92.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.895 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' OE2' ' HE3' ' A' ' 78' ' ' LYS . 39.1 tt0 -64.63 -37.49 87.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.08 -36.45 83.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.583 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.46 -42.44 43.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.573 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.61 21.59 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.43 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 48' ' ' ALA . 57.9 t -82.99 134.54 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.479 0.18 . . . . 0.0 110.52 -178.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.523 ' O ' HG21 ' A' ' 74' ' ' ILE . 95.6 mttt -111.48 -34.11 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.723 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.402 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 15.6 m -135.15 161.1 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.896 0.379 . . . . 0.0 110.984 -174.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.4 m -124.45 145.75 50.02 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.826 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.757 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 6.2 Cg_exo -78.03 153.66 93.12 Favored 'Cis proline' 0 CA--C 1.528 0.177 0 C-N-CA 123.755 -1.352 . . . . 0.0 112.859 2.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -138.32 133.72 33.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.415 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -106.32 108.08 19.41 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 43.7 t -89.1 102.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.338 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -97.44 106.54 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.339 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 62.98 17.13 9.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.423 0.63 . . . . 0.0 111.273 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.88 -17.19 17.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.314 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.32 114.25 26.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.755 0.312 . . . . 0.0 110.172 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -84.98 112.41 20.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 111.656 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.22 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.079 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 69.0 m80 -71.61 139.01 49.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.395 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.511 ' O ' ' HD2' ' A' ' 57' ' ' PRO . 52.7 mt -113.34 92.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.891 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 65.23 -173.76 0.18 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.841 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -127.57 104.59 7.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.88 -56.14 1.17 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 173.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 157.0 46.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.7 135.08 12.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.66 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.523 HG21 ' O ' ' A' ' 54' ' ' LYS . 11.4 tt -66.07 -34.72 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.44 -30.2 69.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.97 -35.09 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.358 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.39 -24.71 24.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.392 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HE3' ' OE2' ' A' ' 49' ' ' GLU . 59.2 tttm -76.39 108.48 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.046 0.451 . . . . 0.0 111.101 -176.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.42 163.84 30.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.396 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.301 -178.332 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.319 0.104 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.04 106.5 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.637 0.256 . . . . 0.0 111.027 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.49 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 56.3 p -101.79 -168.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' B' ' 6' ' ' ILE . 73.1 tttt -99.94 120.27 39.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.094 0.473 . . . . 0.0 110.891 -177.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -115.96 121.21 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.664 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.715 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 32.8 mm -95.28 141.06 15.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.664 -176.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.599 ' HD2' HG23 ' B' ' 35' ' ' ILE . 71.0 t80 -126.58 106.74 9.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 59.4 m-85 -92.83 129.27 38.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.876 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.75 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 6.4 p80 -134.49 159.85 39.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.76 0.314 . . . . 0.0 110.552 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' B' ' 12' ' ' CYS . . . -117.03 9.18 13.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.186 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.46 58.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.178 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.484 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 34.7 m -94.45 163.83 21.77 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 13.2 Cg_endo -57.19 -30.75 88.39 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.557 2.171 . . . . 0.0 111.737 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.91 -34.67 63.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.691 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.861 ' HG ' ' HG3' ' B' ' 57' ' ' PRO . 34.0 m -67.09 -43.27 82.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 43.9 t -56.44 -54.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.168 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.8 m -63.99 -34.78 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.18 94.71 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.502 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.8 mt-10 -63.22 -50.26 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 96.6 mt-30 -59.54 -33.8 71.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.37 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.58 -68.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -65.86 -48.0 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.63 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.19 -10.83 60.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.637 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -25.48 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.843 0.354 . . . . 0.0 110.361 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.663 ' HA ' ' HH ' ' A' ' 31' ' ' TYR . . . -70.32 -33.48 71.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.14 108.73 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.154 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.27 133.9 87.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.851 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.66 -27.52 85.14 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.02 -18.65 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.048 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.426 ' HE3' ' HE2' ' B' ' 31' ' ' TYR . 63.9 tttp -91.73 -41.35 10.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.285 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.49 ' HD1' ' H ' ' B' ' 3' ' ' SER . 70.5 m-85 -142.4 143.94 32.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.665 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -76.64 94.1 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.009 0.433 . . . . 0.0 110.071 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 47.2 t -87.58 111.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.706 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.27 108.3 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.599 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.57 122.62 47.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.222 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.98 132.48 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -79.89 122.62 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 109.996 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 38' ' ' LEU . 40.4 tp -124.54 18.45 8.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.471 0.653 . . . . 0.0 109.995 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.35 1.92 70.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.973 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -142.64 -22.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.49 116.74 27.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -89.36 -10.65 45.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.848 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.45 58.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.06 -4.84 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.059 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.61 -43.88 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.195 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -66.64 -37.51 84.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.68 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -48.37 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.524 ' HB2' ' HB ' ' B' ' 53' ' ' VAL . . . -59.52 -39.79 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.02 -38.73 87.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.636 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 62.5 mttm -76.6 -15.02 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.17 -4.54 48.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.03 10.4 62.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.689 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' B' ' 48' ' ' ALA . 32.4 t -87.48 112.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -109.53 -4.71 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.533 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.689 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 49.6 m -150.05 154.41 38.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.807 ' HB ' ' HD2' ' B' ' 57' ' ' PRO . 0.2 OUTLIER -87.66 -162.95 0.04 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.51 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.861 ' HG3' ' HG ' ' B' ' 15' ' ' CYS . 19.9 Cg_exo 5.3 87.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.743 2.962 . . . . 0.0 114.652 -142.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -148.68 153.97 39.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.684 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.77 111.26 23.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.022 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.715 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 24.4 t -101.48 96.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -90.83 111.21 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.339 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 55.86 31.62 18.08 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.078 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.21 -14.1 59.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.028 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 111.84 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.858 0.361 . . . . 0.0 110.125 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.88 110.82 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 111.583 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.479 ' HB3' HG22 ' A' ' 68' ' ' ILE . 95.0 m-85 -107.52 97.41 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.689 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -71.87 129.69 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mm -93.0 110.95 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 93.2 m-20 64.49 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.7 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -178.16 88.13 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -76.89 -84.55 0.46 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.177 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.77 154.22 47.34 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.963 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.41 143.25 16.52 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.65 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.79 -23.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.402 0.62 . . . . 0.0 109.418 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.674 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.18 -30.13 70.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.98 -1.24 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.306 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -88.74 -7.01 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.14 -78.92 0.72 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.394 -0.908 . . . . 0.0 111.569 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.316 -0.858 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.741 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -166.37 152.71 8.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.812 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -103.83 169.94 8.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 173.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.759 ' HE2' HG12 ' A' ' 6' ' ' ILE . 87.1 tttt -87.6 133.03 33.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 112.024 -173.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -122.47 115.96 23.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.352 173.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.759 HG12 ' HE2' ' A' ' 4' ' ' LYS . 3.9 mt -104.77 113.81 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 110.866 -173.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -97.84 110.56 23.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.829 0.347 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -100.09 127.56 46.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 33.1 p80 -152.24 176.24 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.344 173.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.95 21.51 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.245 . . . . 0.0 111.577 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.45 77.06 0.58 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.742 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -137.46 159.89 67.54 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.32 -42.79 46.57 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.837 2.358 . . . . 0.0 112.27 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -41.58 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.729 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.891 ' HG ' ' HG3' ' A' ' 57' ' ' PRO . 37.5 m -61.59 -39.83 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.495 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.25 -47.35 92.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 -41.35 97.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.25 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.1 tt0 -72.87 -43.24 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.198 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -72.77 -33.64 66.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.54 -66.56 0.89 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.24 -42.68 81.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.612 0.244 . . . . 0.0 111.424 -173.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -73.01 -7.7 52.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.278 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -23.7 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.997 0.427 . . . . 0.0 110.096 172.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.63 76.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.09 91.32 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.19 127.21 92.66 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.696 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.75 -17.79 60.96 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.987 2.458 . . . . 0.0 112.636 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -86.87 -14.93 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.244 0.545 . . . . 0.0 109.992 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -103.5 -37.36 7.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.856 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 90.7 m-85 -139.88 147.21 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.057 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -83.38 95.8 8.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -84.0 119.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.644 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.86 113.43 20.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.67 119.07 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.747 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.34 125.45 70.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.045 0.45 . . . . 0.0 110.581 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -92.9 123.74 36.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.692 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.2 mt -88.24 -3.2 58.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.529 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.67 -29.46 16.07 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.642 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -65.5 -45.54 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.25 119.95 23.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.505 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 65.8 mttp -69.56 -24.93 63.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.187 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.65 84.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -75.39 -12.16 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.153 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 42' ' ' LYS . 72.2 mt -67.07 -43.18 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.65 85.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.246 176.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.65 95.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.31 -52.75 60.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.824 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -75.0 -10.65 59.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.276 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.86 -12.27 48.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.79 16.11 14.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.116 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.97 116.06 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.256 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -95.53 -32.63 12.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -153.04 175.25 13.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.483 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.94 147.17 64.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.623 0.249 . . . . 0.0 110.533 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.891 ' HG3' ' HG ' ' A' ' 15' ' ' CYS . 5.6 Cg_exo -77.85 150.25 89.35 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 123.545 -1.44 . . . . 0.0 112.436 -0.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.34 117.56 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.95 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 61' ' ' ILE . 2.1 tt -100.46 102.12 13.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 47.1 t -79.01 95.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.956 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG1' HD21 ' A' ' 59' ' ' LEU . 69.2 mt -90.7 110.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.36 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.64 -2.94 2.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.46 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.08 -29.57 2.62 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.394 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.34 128.33 36.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.662 0.268 . . . . 0.0 110.627 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.51 119.09 22.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.069 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' B' ' 68' ' ' ILE . 81.6 m-85 -111.1 107.44 16.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.292 0.567 . . . . 0.0 110.467 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 52.0 m80 -81.01 109.2 15.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.624 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -89.85 106.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.667 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.8 96.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.896 0.747 . . . . 0.0 111.093 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.65 104.82 0.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.083 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.57 -52.07 0.88 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.756 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.65 136.88 34.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.644 0.259 . . . . 0.0 110.473 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.11 165.26 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.088 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 tt -75.2 -8.77 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.366 0.603 . . . . 0.0 110.106 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.6 -42.8 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.771 172.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.9 -14.46 62.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.249 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.4 tp -85.75 -6.69 59.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.314 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -124.09 159.89 28.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.366 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.63 54.04 4.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.771 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.396 -178.445 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.356 0.598 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.73 -172.65 4.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.563 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -94.49 178.53 5.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -87.76 126.69 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -119.78 97.28 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.643 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.3 pt -105.39 115.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.975 0.417 . . . . 0.0 112.013 -174.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' B' ' 59' ' ' LEU . 38.7 t80 -90.79 133.04 35.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -122.8 123.02 40.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.707 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 31.0 p80 -146.15 168.18 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.12 25.47 10.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.13 29.77 60.0 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.729 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.511 ' O ' HG23 ' B' ' 16' ' ' VAL . 4.1 m -85.05 145.23 42.84 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 -35.74 84.45 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.465 2.11 . . . . 0.0 111.713 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.35 -45.19 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.636 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 5.9 p -87.21 -9.02 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 12' ' ' CYS . 74.2 t -64.66 -51.46 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -64.09 -34.89 79.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.32 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.27 -52.31 66.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -58.31 -41.35 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.089 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.72 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -71.46 -38.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.41 -12.52 60.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.978 0.418 . . . . 0.0 111.204 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.21 -24.28 15.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 0.0 109.817 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.33 -46.22 56.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.75 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.6 mt -89.04 112.8 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.636 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.26 151.9 40.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.074 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 31.4 Cg_exo -59.96 -21.04 63.08 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.585 2.856 . . . . 0.0 113.465 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.2 m -74.85 -44.63 48.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.229 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -71.27 -45.12 63.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.17 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 72.5 m-85 -144.07 135.8 26.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 32.4 m -75.26 96.42 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.185 0.517 . . . . 0.0 110.516 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 36.6 t -88.43 146.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.285 -175.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.409 ' HB3' HG21 ' B' ' 6' ' ' ILE . 44.4 tt0 -145.22 130.76 18.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.611 177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mm -100.4 121.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.821 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -119.91 128.74 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.454 . . . . 0.0 110.608 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -96.61 117.23 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.367 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -96.39 9.82 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.55 21.32 29.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.507 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.6 m -147.97 -71.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.668 -0.313 . . . . 0.0 110.692 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -73.86 116.83 14.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.192 0.52 . . . . 0.0 110.513 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.462 ' HA ' HD13 ' B' ' 45' ' ' ILE . 52.8 mttp -89.62 -14.16 35.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.49 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.229 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.52 HH21 ' CD ' ' B' ' 47' ' ' GLU . 0.6 OUTLIER -62.49 -29.06 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.787 178.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' B' ' 42' ' ' LYS . 72.1 mt -62.55 -42.44 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.523 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -67.51 -28.38 67.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.207 0.527 . . . . 0.0 110.896 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.52 ' CD ' HH21 ' B' ' 44' ' ' ARG . 34.8 mt-10 -80.22 -29.68 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.813 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.36 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.523 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 45.7 mt-10 -51.19 -47.12 62.29 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.645 0.736 . . . . 0.0 109.95 173.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -82.97 -11.18 58.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.463 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.89 31.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 0.0 110.832 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.74 8.92 27.53 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.732 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.98 105.54 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -93.79 -28.86 15.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.762 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.619 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.3 m -146.72 157.96 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.777 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.623 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.7 m -84.69 -172.29 0.35 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.603 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.623 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.1 Cg_exo 15.27 84.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.106 3.204 . . . . 0.0 115.375 -137.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.59 175.84 13.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 113.532 -1.667 . . . . 0.0 109.644 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.555 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 2.3 pt? -150.93 141.58 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.114 0.483 . . . . 0.0 111.081 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.643 ' HB ' HG13 ' B' ' 6' ' ' ILE . 29.3 t -95.4 101.22 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.423 HG13 ' HG ' ' B' ' 59' ' ' LEU . 68.3 mt -96.7 115.96 37.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.188 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 73.26 -15.56 0.53 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.595 0.559 . . . . 0.0 111.489 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 133.63 0.77 3.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.168 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.0 123.94 48.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.628 0.251 . . . . 0.0 110.341 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.31 105.38 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.927 0.394 . . . . 0.0 111.28 -177.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.405 ' O ' HD22 ' B' ' 59' ' ' LEU . 85.6 m-85 -97.22 132.58 42.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.619 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 69.3 m80 -96.74 120.43 37.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.514 HG22 ' HB3' ' A' ' 66' ' ' PHE . 43.4 mt -109.41 109.96 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.646 -173.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 63.18 100.48 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 124.216 0.947 . . . . 0.0 109.174 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -43.57 102.22 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.224 0.953 . . . . 0.0 111.608 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.16 -100.14 0.53 Allowed Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' B' ' 55' ' ' SER . . . -139.87 151.43 45.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.056 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.25 147.93 46.63 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.869 -1.158 . . . . 0.0 110.482 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 18.6 tt -60.11 -33.11 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.398 0.599 . . . . 0.0 110.681 -176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.853 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 2.7 m-20 -79.4 1.49 25.14 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -82.99 -23.05 33.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.51 -40.72 5.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.15 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.853 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 51.0 tttm -61.87 130.46 45.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.242 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.63 98.43 0.62 Allowed Glycine 0 CA--C 1.509 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.54 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -174.081 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.657 0.265 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 87.99 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 0.0 110.124 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -75.23 162.92 28.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -89.26 120.14 30.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.068 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.485 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -116.28 113.21 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.208 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.77 124.8 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.56 0.219 . . . . 0.0 110.745 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -109.27 112.36 24.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.876 0.37 . . . . 0.0 110.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.79 133.16 45.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.615 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 21.2 p80 -158.41 171.12 20.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 172.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.94 12.57 16.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 3.34 84.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.104 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.85 151.29 89.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.502 0.151 . . . . 0.0 110.643 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.05 -40.78 75.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.941 2.427 . . . . 0.0 112.028 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.25 -37.51 63.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.52 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.899 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 47.4 m -73.4 -39.2 65.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.881 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -57.35 -44.28 83.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.482 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 m -61.43 -48.12 82.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.54 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.63 -60.58 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -76.62 -16.74 59.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.8 -57.51 2.72 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.519 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG23 HG22 ' A' ' 68' ' ' ILE . 47.9 t -70.21 -39.56 77.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.44 -3.96 30.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.502 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.21 -21.69 12.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 110.096 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.57 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.786 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.87 110.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.14 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.31 131.2 94.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.887 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.57 -27.0 69.45 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.889 2.393 . . . . 0.0 112.553 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -79.59 -16.05 56.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.582 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -87.02 -57.94 2.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 81.7 m-85 -132.07 127.36 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.722 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 m -77.09 107.64 9.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 111.394 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.64 116.49 29.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.78 122.2 46.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.598 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.84 130.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.959 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -124.13 114.32 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.298 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -89.87 117.78 28.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB3' HG12 ' A' ' 45' ' ' ILE . 90.4 mt -76.5 -7.01 54.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.49 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.56 -8.69 73.44 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.737 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.6 m -84.03 -33.21 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.32 135.68 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.276 -173.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 45' ' ' ILE . 97.3 mttt -80.74 -21.15 41.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.113 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.54 -34.17 69.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.105 0.479 . . . . 0.0 110.246 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -73.42 -19.28 61.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -67.43 -41.3 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 172.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -64.71 -35.04 79.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.237 176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.72 -51.07 70.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.153 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.11 -44.04 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.95 -46.66 84.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.007 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 63.7 mttp -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.22 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.11 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.306 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.59 21.4 1.03 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.694 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -86.99 106.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -105.35 -8.82 17.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.892 -176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m -148.02 158.24 43.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 m -114.14 137.52 22.5 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.472 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.899 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.2 Cg_endo -91.89 168.93 24.99 Favored 'Cis proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.411 -1.495 . . . . 0.0 113.061 -0.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -146.26 145.3 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 5' ' ' ALA . 6.2 tt -123.46 121.41 35.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.206 0.527 . . . . 0.0 109.633 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 40.5 t -90.22 106.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.281 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.81 93.14 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 51.38 46.63 26.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.53 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.78 -37.7 3.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.826 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.66 111.65 20.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 110.766 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -90.05 108.97 20.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.397 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.39 123.29 48.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.225 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 66.1 m80 -74.44 118.75 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.595 HG22 HG23 ' A' ' 22' ' ' VAL . 54.5 mt -97.19 104.19 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.81 0.338 . . . . 0.0 110.766 -176.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 t30 69.94 93.23 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.303 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.55 114.23 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.73 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.27 -79.07 1.17 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.973 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.32 154.53 47.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.548 0.214 . . . . 0.0 110.99 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.88 146.49 35.23 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -69.45 -26.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.965 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.614 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 47.7 m-20 -78.1 -10.24 59.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.371 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.58 -29.02 59.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.472 0.653 . . . . 0.0 109.486 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.2 -4.19 56.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.95 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 75' ' ' ASP . 35.2 mmtp -71.96 -16.13 62.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.021 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.4 35.89 3.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.618 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.254 179.489 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.668 ' HA ' ' O ' ' B' ' 30' ' ' LYS . . . -95.97 94.39 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.826 0.346 . . . . 0.0 110.169 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -107.39 167.87 9.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.245 0.545 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.35 121.72 26.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -120.26 108.3 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -99.68 134.9 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.541 ' HD1' HG22 ' B' ' 35' ' ' ILE . 55.3 t80 -118.62 105.27 11.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.217 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 72.3 m-85 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.292 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.527 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 8.5 p80 -149.1 157.7 43.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.843 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.02 -53.23 2.64 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.18 3.22 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.396 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.59 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 89.6 m -148.52 -63.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 35.8 Cg_exo -56.97 -52.53 6.53 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.831 1.687 . . . . 0.0 113.263 -168.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.502 HG12 ' HA2' ' B' ' 71' ' ' GLY . 65.4 t -64.61 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.953 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.527 ' CB ' ' HB2' ' B' ' 9' ' ' HIS . 5.3 p -93.37 -41.48 9.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' B' ' 12' ' ' CYS . 75.9 t -60.66 -37.98 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 117.976 0.353 . . . . 0.0 111.673 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.9 m -61.25 -45.29 95.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -36.96 78.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.95 -57.07 13.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.533 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.75 -21.27 62.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.828 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 -57.67 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.134 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.549 HG11 HD21 ' B' ' 59' ' ' LEU . 42.6 t -71.21 -39.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.759 -173.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.6 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.773 0.32 . . . . 0.0 111.475 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -104.98 -9.79 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.557 . . . . 0.0 110.261 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -87.4 -32.49 19.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.203 175.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.97 130.78 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.066 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.64 128.75 94.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.628 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.4 -21.53 71.35 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.63 2.22 . . . . 0.0 111.819 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -77.93 -35.44 50.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.134 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' B' ' 2' ' ' ALA . 53.1 tttp -72.97 -48.81 33.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.722 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -131.72 130.02 41.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.81 98.99 4.3 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.92 0.39 . . . . 0.0 110.392 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 44.4 t -82.37 108.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.061 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -104.79 106.62 17.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.906 177.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.541 HG22 ' HD1' ' B' ' 7' ' ' PHE . 37.2 mt -91.57 130.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.38 120.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -90.83 116.74 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.788 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.493 ' CD1' HG11 ' B' ' 56' ' ' VAL . 80.8 mt -80.51 -23.48 40.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.68 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.49 70.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.916 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.7 m -77.29 -43.91 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.66 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -134.63 115.04 13.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.69 -9.98 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.064 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.03 65.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.311 0.577 . . . . 0.0 109.861 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -72.56 -20.62 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.403 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.81 -34.8 79.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.27 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.55 -50.16 73.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.53 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.28 90.53 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.5 -46.02 91.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 96.0 mttt -64.82 -38.0 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.63 -32.57 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.303 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.02 9.26 10.87 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.681 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.62 104.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -87.78 -43.93 11.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.494 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.636 ' O ' ' HD2' ' B' ' 67' ' ' HIS . 22.1 m -103.48 111.31 23.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.737 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 0.0 OUTLIER -76.2 -154.04 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.033 -177.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.737 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.0 OUTLIER 11.38 91.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.664 2.243 . . . . 0.0 113.882 -136.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.554 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -146.75 162.89 37.61 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.785 -172.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.591 ' HB2' HD12 ' B' ' 68' ' ' ILE . 61.6 tp -114.73 116.94 29.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.394 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.1 t -95.38 99.77 9.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.954 0.407 . . . . 0.0 110.46 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.47 92.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.88 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.41 75.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.071 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.08 -31.05 3.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.476 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.27 111.74 23.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.999 0.4 . . . . 0.0 110.897 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.99 107.22 19.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.007 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -94.49 106.15 18.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.947 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.636 ' HD2' ' O ' ' B' ' 55' ' ' SER . 50.6 m80 -63.64 111.39 2.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.574 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.591 HD12 ' HB2' ' B' ' 59' ' ' LEU . 60.0 mt -80.75 100.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.448 ' ND2' HG21 ' B' ' 68' ' ' ILE . 19.6 m-80 58.69 -150.71 0.43 Allowed 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -110.25 80.62 1.33 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 165.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.688 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -65.09 -66.15 2.59 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.65 -0.785 . . . . 0.0 111.222 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' B' ' 57' ' ' PRO . . . -139.47 177.41 7.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 172.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.78 141.4 12.38 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.727 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mm -59.37 -40.55 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.32 -35.07 71.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.774 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.27 -35.47 25.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.035 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -72.64 -24.27 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' B' ' 78' ' ' LYS . 3.0 mmpt? -71.96 89.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.004 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.53 35.49 0.16 Allowed Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.826 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--O 1.248 1.023 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -177.618 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.623 0.249 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.64 91.31 4.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -93.22 162.75 13.89 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' CB ' ' HB ' ' A' ' 32' ' ' THR . 64.8 pttt -90.59 140.68 29.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.616 0.722 . . . . 0.0 111.986 -173.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.46 123.61 45.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.93 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.729 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 50.6 mm -95.35 110.99 25.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.205 -173.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' HD2' HG21 ' A' ' 35' ' ' ILE . 55.2 t80 -87.42 93.29 9.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.643 ' CE1' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -97.17 124.02 41.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.624 -173.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.717 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 12.3 p80 -148.38 177.47 9.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.791 0.329 . . . . 0.0 110.839 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.35 17.47 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.28 5.71 61.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.9 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -63.49 129.75 93.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.81 -25.01 19.85 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 123.551 2.834 . . . . 0.0 113.953 -172.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG22 ' HD3' ' A' ' 57' ' ' PRO . 29.3 m -69.13 -14.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.48 -17.26 32.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.635 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.06 -55.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -69.67 -35.57 75.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.34 79.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 32.8 tt0 -68.72 -38.66 80.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.262 177.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -78.56 -8.18 58.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.622 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.06 -66.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.73 0.3 . . . . 0.0 111.642 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.7 -48.31 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.68 -8.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.794 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -88.2 -33.36 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.483 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -64.6 -51.44 62.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.519 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.9 mt -88.17 109.65 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.14 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 29' ' ' SER . 4.6 p-10 -94.39 155.87 39.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 20.1 Cg_exo -67.23 -4.84 12.43 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.271 2.648 . . . . 0.0 114.008 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.434 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 39.2 m -82.21 -38.08 25.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.451 . . . . 0.0 110.12 176.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -79.56 -49.0 12.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 72.4 m-85 -133.63 151.93 51.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 4' ' ' LYS . 2.5 m -75.48 89.5 2.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.925 0.393 . . . . 0.0 110.01 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.73 102.69 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.014 0.435 . . . . 0.0 110.701 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -107.79 117.62 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.416 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.523 HG21 ' HD2' ' A' ' 7' ' ' PHE . 63.7 mt -92.05 123.51 44.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.915 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.08 139.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.504 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -113.57 123.71 50.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.643 ' HG ' ' CE1' ' A' ' 8' ' ' TYR . 18.5 mt -82.38 -27.87 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 4.28 21.45 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.738 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 m -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.656 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -153.29 106.52 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HA ' HG12 ' A' ' 45' ' ' ILE . 53.8 mtmt -89.25 2.89 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.296 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 -29.06 65.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.3 mtm105 -85.15 6.44 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.074 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.605 HG12 ' HA ' ' A' ' 42' ' ' LYS . 34.9 mm -64.45 -42.88 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 173.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . . . -67.14 -30.42 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.418 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.662 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . . . -65.5 -35.52 81.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.419 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' A' ' 46' ' ' ALA . 40.6 mt-10 -59.27 -38.78 80.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.215 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -64.8 -45.5 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.6 -18.76 62.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.02 25.68 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.898 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 48' ' ' ALA . 61.9 t -80.16 106.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.069 0.462 . . . . 0.0 110.035 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -96.4 -22.69 17.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 51.1 m -152.14 160.24 43.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.291 178.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.717 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 24.2 m -120.12 144.41 37.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.351 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 90.7 Cg_endo -80.95 155.99 83.96 Favored 'Cis proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.284 -1.548 . . . . 0.0 113.047 2.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -139.44 131.86 28.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.978 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.0 tp -96.78 102.91 14.78 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.729 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 36.3 t -85.25 96.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.337 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.5 mt -93.21 102.21 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.312 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 65.62 2.82 2.19 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.561 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.64 -30.69 2.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.459 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 120.48 26.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.689 0.28 . . . . 0.0 110.507 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -91.03 110.64 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.938 0.399 . . . . 0.0 110.977 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.67 106.74 18.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.019 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HD2' ' O ' ' A' ' 55' ' ' SER . 51.1 m80 -69.99 137.52 51.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.569 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 54.6 mt -108.41 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.631 HD22 ' HD1' ' B' ' 66' ' ' PHE . 89.1 m-20 67.17 -175.59 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.803 -178.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.91 105.71 15.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.14 -79.36 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.933 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.19 119.85 14.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.62 149.67 45.41 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.642 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.0 -27.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 110.919 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.19 -37.79 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 111.518 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -78.03 -15.57 58.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.84 -28.88 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.311 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -82.11 -42.09 19.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.45 -179.1 42.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.197 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.9 179.009 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' B' ' 31' ' ' TYR . . . -90.19 140.07 30.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.973 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.729 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 40.9 m -76.15 138.06 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.406 ' HE2' HD11 ' B' ' 6' ' ' ILE . 79.0 tttt -87.06 108.96 19.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 111.445 -173.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.45 105.03 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.683 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 45.8 mm -95.3 123.29 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.505 ' HD2' HG21 ' B' ' 35' ' ' ILE . 81.8 t80 -104.09 104.42 14.36 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.47 127.28 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.242 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . 0.864 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 12.6 p80 -141.5 -179.97 6.46 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.707 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.74 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.523 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -15.72 52.42 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.181 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.44 149.48 28.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 122.574 0.35 . . . . 0.0 111.285 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.54 -25.65 50.59 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.887 2.391 . . . . 0.0 112.884 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.98 -33.62 53.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.5 m -63.58 -42.71 98.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.906 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.65 -48.59 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -60.77 -40.29 91.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.983 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.92 72.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' B' ' 23' ' ' ALA . 30.3 tt0 -66.68 -49.4 66.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -67.26 -28.69 68.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.72 -71.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.63 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.7 t -66.91 -52.07 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.678 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 19' ' ' GLU . . . -72.74 -5.03 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.83 -175.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -108.67 -12.68 14.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.45 0.643 . . . . 0.0 110.031 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.68 -27.5 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.513 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.36 137.39 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.633 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.485 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 10.5 t70 -80.07 120.2 78.96 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -24.31 79.16 Favored 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.185 2.59 . . . . 0.0 113.294 -177.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.8 m -94.07 -15.35 24.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.21 0.528 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.485 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 84.2 tttt -86.53 -46.06 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.733 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.596 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 72.1 m-85 -135.17 137.09 42.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.201 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -78.38 105.35 9.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.76 137.18 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.649 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HB3' HD12 ' B' ' 6' ' ' ILE . 36.2 tt0 -138.87 121.99 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.505 HG21 ' HD2' ' B' ' 7' ' ' PHE . 67.1 mt -95.36 125.41 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.486 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.69 115.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.931 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.492 ' HD2' HG21 ' B' ' 40' ' ' THR . 37.6 t60 -89.23 112.45 23.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.818 178.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.512 HD13 ' CG1' ' B' ' 56' ' ' VAL . 58.9 mt -85.55 2.25 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.59 73.32 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.065 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.492 HG21 ' HD2' ' B' ' 37' ' ' HIS . 1.7 p -83.46 -75.13 0.34 Allowed 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.069 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' B' ' 44' ' ' ARG . 2.2 m-20 -85.16 105.17 15.67 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.718 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' B' ' 45' ' ' ILE . 86.0 tttt -65.78 -24.09 66.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 0.0 109.98 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -26.66 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.38 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' B' ' 41' ' ' ASP . 82.1 mmt-85 -71.75 -26.1 62.32 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.41 HD13 ' HG3' ' B' ' 42' ' ' LYS . 73.9 mt -58.64 -42.94 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.08 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.821 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.12 -36.97 80.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.99 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.265 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.11 -39.71 94.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.549 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.85 -35.31 80.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.717 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.74 66.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.324 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.79 18.03 5.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.271 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.07 106.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.504 ' HB2' ' CE1' ' B' ' 67' ' ' HIS . 46.9 mttm -88.12 -22.92 23.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.9 m -151.71 150.58 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.551 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.573 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 5.6 m -84.88 -163.34 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.532 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.692 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.864 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.0 OUTLIER 11.18 91.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.625 2.883 . . . . 0.0 114.395 -135.233 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.93 163.91 37.58 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.113 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' B' ' 68' ' ' ILE . 55.5 tp -118.59 119.53 34.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.077 0.465 . . . . 0.0 110.517 -178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.683 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 59.9 t -102.75 109.5 26.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.406 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.54 96.16 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.729 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 12.8 t70 59.11 24.6 12.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.488 173.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.1 -31.99 3.54 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.858 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 111.76 20.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.38 . . . . 0.0 110.925 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.27 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.752 -175.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.631 ' HD1' HD22 ' A' ' 69' ' ' ASN . 89.8 m-85 -113.24 128.49 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.92 176.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' B' ' 54' ' ' LYS . 35.7 m80 -78.15 135.7 37.7 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.072 -175.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.699 HD13 ' HB2' ' B' ' 59' ' ' LEU . 63.1 mt -103.65 101.86 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 61.05 -159.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -172.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -106.87 88.85 2.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -68.39 -90.18 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 177.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.569 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 142.79 36.44 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.884 172.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.93 137.15 25.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.1 -1.048 . . . . 0.0 111.309 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 tt -68.55 -24.28 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.516 0.674 . . . . 0.0 109.903 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.55 -27.96 51.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.162 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.52 -32.42 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.36 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.42 -35.96 72.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.269 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -82.78 84.79 7.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.518 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.81 135.11 3.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.493 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.392 176.893 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -76.58 163.47 26.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.708 0.289 . . . . 0.0 110.353 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD3' HD11 ' A' ' 6' ' ' ILE . 24.1 ttmm -106.36 126.03 51.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.105 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.66 100.21 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.857 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.453 HD11 ' HD3' ' A' ' 4' ' ' LYS . 15.4 mt -95.35 122.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.151 -176.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' HB3' HG12 ' A' ' 35' ' ' ILE . 41.7 t80 -107.08 103.37 12.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.789 0.328 . . . . 0.0 110.668 -174.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.404 ' CD1' HG21 ' A' ' 53' ' ' VAL . 63.5 m-85 -94.66 130.21 41.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 17.0 p80 -160.17 159.37 31.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 173.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.82 13.64 34.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.55 13.92 77.22 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 29.4 m -67.14 152.14 96.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.85 -46.76 28.66 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.849 2.366 . . . . 0.0 112.403 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -62.32 -35.02 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.732 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 59.2 m -67.91 -41.45 82.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.438 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.3 -39.46 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -60.65 -44.67 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.55 -38.52 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.17 -50.92 64.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 0.0 110.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.08 -36.58 84.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.749 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.24 -68.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.729 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.73 -50.48 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.813 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.8 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 111.763 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -93.75 -17.35 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.357 . . . . 0.0 110.805 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.2 -21.68 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -79.85 129.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.933 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.49 133.92 33.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.331 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 21.7 Cg_exo -66.25 -5.03 11.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.046 2.498 . . . . 0.0 112.499 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -72.8 -47.87 42.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.209 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -89.1 -43.87 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 61.2 m-85 -126.42 122.5 35.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 111.444 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.9 m -80.32 106.15 12.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.589 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -80.88 107.41 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.923 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 36.1 mt-10 -104.19 95.43 5.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.02 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.401 HG12 ' HB3' ' A' ' 7' ' ' PHE . 69.4 mt -82.36 127.71 39.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.88 113.74 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.115 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -83.73 119.37 24.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.52 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -101.57 10.43 40.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.05 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.61 25.02 25.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.282 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.66 -51.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.101 0.477 . . . . 0.0 110.051 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' CG ' ' HG3' ' A' ' 44' ' ' ARG . 12.8 t0 -84.61 108.51 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.88 -4.41 58.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.086 0.47 . . . . 0.0 111.297 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.16 -30.23 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.238 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' CG ' ' A' ' 41' ' ' ASP . 57.4 mtt180 -74.1 -11.91 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.058 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 67.7 mt -60.43 -39.53 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.28 70.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.864 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.29 -43.11 61.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.914 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.88 -43.02 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.425 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 41.6 mt-10 -51.29 -45.47 62.17 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.419 0.628 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -84.99 -25.68 27.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.207 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -23.48 63.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.7 5.55 27.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.85 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 54.3 t -82.03 102.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.188 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -109.27 -5.85 15.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.263 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.601 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.6 m -151.92 167.43 28.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.755 174.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.01 141.67 42.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.732 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.0 Cg_endo -85.03 148.83 49.46 Favored 'Cis proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.098 -1.626 . . . . 0.0 113.068 1.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.71 126.8 47.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.964 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.68 101.42 12.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.065 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.3 t -84.2 102.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -110.92 115.88 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.962 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.24 25.49 15.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.006 0.432 . . . . 0.0 111.244 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.23 -19.93 52.06 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.3 112.47 21.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -86.47 103.46 15.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.65 104.95 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.881 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -76.91 95.33 4.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.495 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -88.16 111.53 22.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.984 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 66.19 102.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.795 0.684 . . . . 0.0 111.124 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -71.62 101.69 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.894 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.6 -55.51 1.15 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.4 47.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -99.08 171.75 24.86 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -69.62 -24.45 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -30.85 71.0 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.113 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -71.03 -23.18 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.21 -18.96 22.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.401 0.62 . . . . 0.0 109.812 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 tptp . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.39 -177.778 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.7 152.18 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -89.55 145.75 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.384 0.611 . . . . 0.0 111.654 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.05 119.61 39.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.417 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.91 109.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.817 0.341 . . . . 0.0 110.489 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' B' ' 68' ' ' ILE . 87.8 t80 -100.46 111.98 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.442 ' CD1' HG21 ' B' ' 53' ' ' VAL . 54.6 m-85 -94.95 131.59 40.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.097 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.762 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 7.6 p80 -142.82 173.52 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.349 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.3 17.78 3.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.425 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.42 67.51 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.061 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 m -59.02 153.55 44.22 Favored Pre-proline 0 C--N 1.328 -0.368 0 C-N-CA 122.343 0.257 . . . . 0.0 110.83 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.71 -38.02 65.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.065 2.51 . . . . 0.0 113.029 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.06 -28.49 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.383 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 14.3 m -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.065 0.46 . . . . 0.0 109.977 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 21.9 t -62.77 -48.98 85.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.532 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -57.43 -47.01 82.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.85 91.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 28.1 tt0 -67.58 -40.19 84.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.883 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 97.7 mt-30 -65.34 -53.93 36.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.279 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.69 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.65 -43.63 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.848 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.1 -10.0 59.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -102.42 -24.12 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.724 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.11 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.456 0.646 . . . . 0.0 109.724 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.4 mt -102.58 82.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.588 ' OD1' ' HE2' ' B' ' 30' ' ' LYS . 5.9 p-10 -78.4 153.01 79.0 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.119 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 39.4 Cg_exo -62.41 -9.98 17.32 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.79 2.993 . . . . 0.0 114.358 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.49 ' HB3' ' OD2' ' B' ' 27' ' ' ASP . 22.9 t -71.43 -24.46 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.526 0.679 . . . . 0.0 109.254 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.588 ' HE2' ' OD1' ' B' ' 27' ' ' ASP . 45.7 mtmt -102.32 -55.41 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.562 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 92.1 m-85 -137.0 120.97 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.866 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.5 m -68.59 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.553 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.61 119.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.6 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.38 111.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.913 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.33 113.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.469 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -100.33 111.18 23.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.5 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.83 -13.27 61.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.096 0.474 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.49 -26.24 74.71 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.556 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 27.0 m -86.22 -49.48 7.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.598 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' B' ' 44' ' ' ARG . 28.5 t70 -117.05 109.5 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.338 -177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -86.3 -24.49 25.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.0 3.78 7.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.002 0.43 . . . . 0.0 111.143 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.514 ' HB2' ' OD2' ' B' ' 41' ' ' ASP . 3.4 ttm180 -92.44 -0.53 57.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 72.9 mt -58.36 -42.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 175.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.81 73.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.266 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.57 -45.81 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.94 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -56.69 -43.78 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 53.3 mt-10 -53.45 -51.92 61.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -72.07 -22.61 61.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.431 -175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.25 -23.0 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.584 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.77 7.78 33.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.75 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 48.7 t -81.1 105.0 10.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.552 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.16 -17.06 24.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -151.22 151.18 31.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.645 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.2 m -74.52 -167.74 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.762 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 9.8 Cg_exo 11.14 84.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.442 0 C-N-CA 123.79 2.993 . . . . 0.0 114.581 -138.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.42 155.09 34.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.112 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 HD11 ' B' ' 68' ' ' ILE . 2.4 pt? -130.19 137.53 50.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.198 0.523 . . . . 0.0 111.214 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.9 t -100.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.254 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -104.79 111.29 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.595 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.95 8.84 3.37 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.146 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.56 -25.64 5.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.101 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.69 120.87 28.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.746 0.308 . . . . 0.0 110.624 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.51 124.27 34.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.311 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -117.89 123.03 44.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.336 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 70.5 m80 -87.77 120.55 29.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.364 -177.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.526 HD11 HD22 ' B' ' 59' ' ' LEU . 56.0 mt -86.57 97.91 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t30 67.15 12.67 9.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.909 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 58.23 84.72 0.1 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.175 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.2 -87.53 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.119 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.66 137.09 34.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.63 140.03 48.21 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.389 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.88 -27.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.081 0.467 . . . . 0.0 110.572 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 15.7 t70 -84.34 -3.65 58.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.71 -25.86 37.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.193 0.52 . . . . 0.0 110.068 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.11 -3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.857 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 29.5 tttm . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.758 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.485 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 15.2 m -78.44 -171.57 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 32' ' ' THR . 77.0 tttt -115.22 150.48 36.07 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.383 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -139.14 111.27 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.869 0.366 . . . . 0.0 110.488 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.666 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 42.7 mm -97.07 122.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.107 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' ILE . 54.7 t80 -107.23 102.0 11.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 61.7 m-85 -92.15 131.62 37.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.341 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.727 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.9 p80 -157.25 167.82 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.669 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 12.03 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.713 0.292 . . . . 0.0 111.745 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.13 6.48 84.58 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.055 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.9 m -72.06 151.24 92.66 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.602 0.201 . . . . 0.0 110.552 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.17 -41.25 73.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.62 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.206 0.527 . . . . 0.0 110.534 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.687 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 56.9 m -70.33 -42.06 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.16 -37.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -60.92 -46.78 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.604 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.02 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.4 tt0 -64.77 -55.3 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.72 -8.09 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -62.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.587 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.79 -44.29 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.144 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -78.32 0.2 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.701 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -97.91 -27.04 14.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -76.8 -32.41 57.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.528 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.84 128.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.884 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -85.61 132.27 45.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.54 -19.58 68.16 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.964 2.443 . . . . 0.0 113.08 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -98.7 7.35 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.18 0.514 . . . . 0.0 110.411 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 58.3 tttp -113.65 -37.86 4.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 57.8 m-85 -135.07 141.94 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.57 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.545 ' HB ' ' HG3' ' A' ' 4' ' ' LYS . 6.9 m -84.52 95.4 8.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.441 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 48.5 t -88.95 116.38 30.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -172.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -117.85 113.65 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.646 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' A' ' 7' ' ' PHE . 70.3 mt -89.39 128.41 41.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.159 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.9 t -117.5 116.74 52.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -85.07 110.27 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.437 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 56' ' ' VAL . 91.4 mt -85.61 -1.29 56.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.29 -28.96 21.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.059 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 m -75.05 -55.36 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 110.793 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' OD2' ' HG3' ' A' ' 44' ' ' ARG . 25.2 t70 -115.68 138.07 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.608 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.34 -19.28 25.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.595 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.15 63.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.075 0.464 . . . . 0.0 110.525 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HG3' ' OD2' ' A' ' 41' ' ' ASP . 85.9 mtt-85 -67.75 -22.01 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -66.31 -32.62 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.6 93.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.53 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.75 -46.12 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.22 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.57 -46.89 87.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.19 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.51 -46.05 91.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.19 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -75.81 -12.25 60.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.2 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.25 -18.83 24.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.1 11.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.7 t -82.76 126.21 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.308 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -101.09 -39.44 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.02 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -145.44 169.59 18.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 -173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.727 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.9 m -129.57 151.51 78.12 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.01 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.687 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 65.1 Cg_endo -74.67 140.28 66.44 Favored 'Cis proline' 0 C--O 1.234 0.317 0 C-N-CA 123.067 -1.639 . . . . 0.0 113.029 2.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -112.81 145.66 40.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 tp -123.2 101.98 7.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.904 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.666 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 48.7 t -85.15 99.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.854 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.83 98.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.7 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 59.95 19.6 8.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.972 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.6 -12.08 9.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.725 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.83 125.75 41.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.613 -0.345 . . . . 0.0 110.222 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.25 104.48 17.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.019 0.438 . . . . 0.0 111.518 -174.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -106.05 164.16 12.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -128.93 142.68 50.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.725 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.4 mt -131.92 100.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.368 0.417 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 67.11 121.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.705 0.802 . . . . 0.0 112.025 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -73.46 95.23 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.49 -51.38 2.19 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -139.28 154.88 48.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.315 -0.443 . . . . 0.0 109.87 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.503 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -119.1 143.98 17.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.726 -178.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 17.4 tt -63.45 -28.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 110.802 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -35.28 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.624 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.11 -34.36 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.257 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 85.0 mt -55.14 -48.99 72.93 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.625 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.221 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -56.01 149.14 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.87 119.73 31.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.081 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.97 123.81 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.78 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -103.86 119.24 52.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.07 0.462 . . . . 0.0 110.571 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.461 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.1 t80 -95.3 122.52 38.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.348 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -105.96 124.15 49.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.469 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.948 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 5.9 p80 -135.62 172.04 13.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.408 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.9 0.31 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.598 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.0 -3.22 87.12 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.713 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 p -74.94 161.59 76.96 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.927 -0.161 . . . . 0.0 110.682 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.94 -31.18 26.29 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.34 2.694 . . . . 0.0 113.466 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.06 -29.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.464 . . . . 0.0 110.846 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 39.6 m -68.47 -32.45 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.0 -48.37 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -58.42 -47.11 85.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.06 81.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.201 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 32.3 tt0 -64.68 -57.53 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -67.29 -31.3 71.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.061 -172.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.84 -64.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.979 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.07 -46.1 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.45 -4.15 31.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.719 0.295 . . . . 0.0 111.61 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -110.95 -16.6 13.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.848 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.21 -46.4 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.136 0.493 . . . . 0.0 109.953 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.84 111.71 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 11.1 t70 -68.8 126.82 93.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.237 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 23.5 Cg_exo -65.19 -15.46 50.31 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.164 2.576 . . . . 0.0 113.176 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.76 -15.57 34.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.406 0.622 . . . . 0.0 109.526 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -99.35 -36.08 9.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.169 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 97.5 m-85 -136.69 160.05 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.232 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 38.3 m -95.81 105.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.537 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.8 111.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.625 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -108.1 123.07 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' HD2' ' B' ' 7' ' ' PHE . 64.6 mt -102.08 127.41 55.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 -175.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.96 132.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.9 114.45 23.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.074 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.6 tp -109.73 13.97 23.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.465 0.65 . . . . 0.0 110.188 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 30.84 8.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.277 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.6 m -153.89 -53.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.811 -0.229 . . . . 0.0 111.141 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 33.4 m-20 -88.0 110.48 20.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -68.52 -21.76 64.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.64 67.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.188 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 69.6 mtt-85 -80.72 -14.98 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.258 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.536 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 74.1 mt -65.15 -38.08 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.795 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.25 -36.93 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.401 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.612 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 39.3 mt-10 -69.56 -39.15 77.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.349 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.2 -37.7 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.736 177.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 31.1 mt-10 -73.96 -13.45 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' B' ' 47' ' ' GLU . 65.7 mttm -78.12 -42.46 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.77 48.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.17 26.7 6.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.29 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.9 t -76.14 127.34 37.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -106.21 -16.67 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.683 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.3 m -152.11 147.95 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.599 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.614 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.0 m -80.41 -169.74 0.22 Allowed Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.948 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.3 Cg_exo 14.69 84.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.505 0 C-N-CA 123.544 2.829 . . . . 0.0 114.44 -135.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.636 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -149.55 161.07 42.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.639 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 61.1 tp -125.57 114.74 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.967 0.413 . . . . 0.0 110.721 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 48.3 t -94.92 102.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.928 0.394 . . . . 0.0 110.461 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.3 mt -93.34 98.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.358 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 46.85 75.04 0.13 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.795 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.94 -41.71 3.08 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.555 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.33 114.8 22.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -85.57 107.28 17.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.198 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.56 100.74 11.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.073 0.463 . . . . 0.0 109.996 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.525 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.6 m80 -70.82 137.91 49.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' B' ' 58' ' ' ALA . 9.5 mt -95.88 -175.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.624 ' H ' HG22 ' B' ' 68' ' ' ILE . 9.4 m120 -28.0 117.4 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.385 0.428 . . . . 0.0 110.614 167.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -44.47 105.74 0.06 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 124.372 1.045 . . . . 0.0 112.257 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.83 -89.13 0.63 Allowed Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.927 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.581 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.99 140.24 36.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.021 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.63 143.57 40.58 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.51 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.0 tt -65.33 -25.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.351 0.596 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.05 -31.61 68.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.325 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.87 -27.56 61.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.273 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.56 -15.34 60.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.17 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.345 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 67.4 m -151.59 171.43 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.96 0.409 . . . . 0.0 111.193 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.44 136.18 51.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . . . -142.44 120.44 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.324 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 32.4 mt -120.34 135.18 61.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.252 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' HD1' ' HD2' ' A' ' 9' ' ' HIS . 22.2 t80 -119.05 106.18 12.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.21 126.01 40.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.08 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.6 p80 -161.92 172.92 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.35 7.11 13.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.66 15.06 60.41 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.337 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' A' ' 16' ' ' VAL . 14.4 m -66.24 147.33 98.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.21 -27.2 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.48 -45.26 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 19.5 p -80.75 -16.56 53.54 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.371 -175.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 12' ' ' CYS . 95.6 t -58.7 -46.06 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.198 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -61.75 -33.51 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.76 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -38.79 67.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.741 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 38.9 tt0 -67.58 -24.09 65.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.521 . . . . 0.0 110.072 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.12 -57.31 3.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.72 -66.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.43 -39.98 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.44 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -77.06 1.45 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.95 -9.34 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.392 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.64 35.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.32 101.26 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.789 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.47 164.77 14.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.953 -174.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 37.7 Cg_exo -62.33 -8.86 13.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.559 2.839 . . . . 0.0 114.921 -173.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -74.54 -22.97 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.288 0.566 . . . . 0.0 110.045 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 30.0 mtpp -110.68 -46.49 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 96.1 m-85 -134.18 143.02 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.331 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -84.15 91.16 7.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -80.55 110.91 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.562 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.17 118.44 36.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.48 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -80.54 128.82 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.346 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.81 111.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 0.0 110.366 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -88.34 116.96 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.113 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.1 mt -92.06 1.31 57.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.47 -55.98 3.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.456 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.5 m -71.13 -40.61 71.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 0.0 110.773 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.11 97.27 7.11 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.26 -7.24 59.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.356 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.89 -23.23 55.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 109.84 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -73.55 -10.21 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.756 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.93 -31.98 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.65 77.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.117 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.31 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.45 -54.99 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.761 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.09 -29.45 70.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.985 0.421 . . . . 0.0 110.624 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.89 -37.43 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.542 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 -24.96 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.167 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.81 4.62 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.611 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 89.4 t -70.05 114.13 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -112.24 -10.81 13.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.666 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -145.3 159.43 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.702 0.287 . . . . 0.0 110.508 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.57 145.39 42.74 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.076 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.733 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 98.4 Cg_endo -79.79 158.29 88.6 Favored 'Cis proline' 0 C--N 1.344 0.314 0 C-N-CA 123.236 -1.568 . . . . 0.0 112.742 -0.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.65 121.78 31.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -99.9 108.61 20.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.782 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 47.5 t -96.92 106.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.946 0.403 . . . . 0.0 110.67 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.4 mt -96.36 105.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.538 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 65.39 -74.62 0.05 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 111.309 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 9.05 1.81 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.109 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.39 115.17 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.753 0.311 . . . . 0.0 110.513 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.57 114.33 26.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.474 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.5 m-85 -106.65 115.13 29.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.013 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.04 111.73 10.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.987 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.733 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 51.5 mt -74.45 93.54 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 66.57 169.92 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.097 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -100.16 90.36 4.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.49 -69.14 1.39 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.571 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.4 130.13 26.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.572 0.225 . . . . 0.0 110.491 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.52 144.65 30.7 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.244 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 13.1 tt -72.31 -15.96 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.159 0.504 . . . . 0.0 110.85 -175.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -80.3 -22.63 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 109.805 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.79 -30.6 32.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.389 175.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.67 -24.6 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.458 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 65.3 mttp . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.024 0.44 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -82.57 168.99 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.658 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' HB ' ' B' ' 32' ' ' THR . 83.1 tttt -93.79 126.12 38.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.0 111.326 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.97 116.09 22.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.758 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.423 HD11 ' HE2' ' B' ' 4' ' ' LYS . 50.5 mt -104.44 127.67 58.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.45 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.491 ' HD2' HG23 ' B' ' 35' ' ' ILE . 80.9 t80 -104.76 128.18 52.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -113.1 133.38 55.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 27.1 p80 -149.94 176.37 10.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.209 -0.197 . . . . 0.0 110.749 174.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 12.69 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.06 0.71 80.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.812 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.2 m -61.67 159.1 36.41 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.878 0.339 . . . . 0.0 110.563 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.69 -37.59 84.04 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.757 2.304 . . . . 0.0 112.108 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.34 -31.94 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 50.0 m -65.52 -43.88 88.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.04 -45.29 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 27.0 t -64.87 -42.62 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.075 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.6 86.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.305 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 15' ' ' CYS . 50.7 mt-10 -65.27 -53.96 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.0 -69.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.532 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.17 -49.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.08 -7.19 47.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.727 0.299 . . . . 0.0 111.549 -176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -109.97 -9.92 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.0 110.729 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -42.21 50.07 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.18 113.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.494 ' HB2' ' HD2' ' A' ' 30' ' ' LYS . 9.9 t70 -73.13 136.75 79.07 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.15 -172.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.01 -20.03 68.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.126 2.551 . . . . 0.0 112.666 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -97.19 2.75 51.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 110.285 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -106.2 -41.84 5.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -140.92 161.24 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.607 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' THR . . . . . 0.495 ' HB ' ' HA ' ' B' ' 4' ' ' LYS . 23.5 m -85.63 95.47 9.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.8 117.51 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -119.48 119.44 33.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.229 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.17 121.51 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.64 120.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 110.951 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -84.33 108.45 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.314 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.709 HD12 HG12 ' B' ' 56' ' ' VAL . 86.6 mt -79.74 -24.1 41.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 111.086 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 45.34 3.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.268 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 86.4 m -141.06 -52.59 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 110.469 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.62 ' HB3' ' HG3' ' B' ' 44' ' ' ARG . 11.8 t70 -115.38 131.85 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.59 -26.71 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.53 -22.5 57.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.62 ' HG3' ' HB3' ' B' ' 41' ' ' ASP . 1.4 mmp_? -62.55 -33.0 74.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.48 -48.58 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.812 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.13 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 44' ' ' ARG . 39.5 mt-10 -62.85 -44.59 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.403 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.32 -40.05 89.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.532 0.206 . . . . 0.0 111.08 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.84 -29.37 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 111.164 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.52 -10.45 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.23 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.59 1.1 34.8 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.275 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.33 108.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.09 0.471 . . . . 0.0 110.368 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -101.13 -12.32 18.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.6 m -143.39 145.28 32.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.631 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.709 HG12 HD12 ' B' ' 38' ' ' LEU . 14.2 m -76.47 -171.23 0.24 Allowed Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.775 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 2.3 Cg_exo 12.97 93.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 123.657 2.905 . . . . 0.0 114.757 -133.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.24 151.03 37.74 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.253 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 tp -122.86 119.54 30.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.427 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.35 105.44 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -100.31 105.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.09 23.09 11.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.546 0.689 . . . . 0.0 111.349 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.13 -25.54 9.86 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.382 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.57 112.31 19.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.679 0.276 . . . . 0.0 110.462 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.94 111.72 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.076 0.465 . . . . 0.0 111.638 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -113.36 111.98 22.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.555 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.7 m80 -65.51 129.2 38.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.409 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 49.0 mm -94.65 96.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.082 0.468 . . . . 0.0 110.155 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 4.6 t-20 67.3 -174.1 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.356 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -90.84 93.43 9.22 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.87 -103.68 0.48 Allowed Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.872 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.61 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.29 159.0 43.16 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.012 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.66 123.06 6.53 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.477 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 tt -65.72 -19.72 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 121.425 0.631 . . . . 0.0 110.52 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 78' ' ' LYS . 28.7 t70 -69.67 -23.82 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.713 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.96 -23.38 66.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.414 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.72 -8.35 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 75' ' ' ASP . 54.5 mttp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 121.057 0.456 . . . . 0.0 110.083 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 121.227 0.537 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -89.32 -174.45 4.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HE3' HD11 ' A' ' 6' ' ' ILE . 65.2 pttt -125.42 165.0 19.21 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.833 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -130.44 113.29 14.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.701 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.503 HD11 ' HE3' ' A' ' 4' ' ' LYS . 29.9 mt -95.91 119.84 44.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 110.336 -175.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.594 ' HD1' ' HG ' ' A' ' 59' ' ' LEU . 47.5 t80 -102.28 103.0 13.45 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.987 -176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.83 126.8 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.961 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 17.7 p80 -154.3 -179.56 8.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.61 0.243 . . . . 0.0 110.774 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 18.69 10.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.682 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.65 3.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.823 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -113.64 146.6 35.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.37 -35.92 98.86 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.022 2.481 . . . . 0.0 112.393 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.23 -38.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.288 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 17.5 m -67.15 -45.5 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.083 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.33 -37.39 63.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 m -62.3 -38.28 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.359 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.8 67.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.899 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' CYS . 57.7 mt-10 -65.93 -39.8 90.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.55 -28.95 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.97 -71.1 0.72 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.75 -47.91 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.538 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -71.17 -11.45 60.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.555 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.73 -7.57 20.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.057 0.456 . . . . 0.0 110.75 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.45 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.88 116.21 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.895 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.9 t70 -70.99 132.09 86.85 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 39.1 Cg_exo -58.37 -37.65 94.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.447 2.765 . . . . 0.0 113.763 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -85.76 1.52 49.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.284 0.564 . . . . 0.0 110.855 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -96.15 -53.42 3.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -137.01 121.82 18.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.093 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 30.4 m -71.26 108.87 4.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.941 0.4 . . . . 0.0 111.188 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.3 t -83.11 123.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.89 115.2 29.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 7' ' ' PHE . 45.3 mm -87.39 117.92 32.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.09 126.05 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 0.0 111.239 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -96.25 107.86 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.039 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.22 -10.38 59.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.534 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.37 -23.42 68.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.299 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -93.2 -14.13 27.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.017 0.437 . . . . 0.0 110.99 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 12.1 t70 -137.61 113.26 9.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.857 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' HG13 ' A' ' 45' ' ' ILE . 99.1 mttt -89.12 -9.25 51.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.426 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.45 -37.62 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.077 0.465 . . . . 0.0 109.918 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HG3' ' OD1' ' A' ' 41' ' ' ASP . 55.1 mtt180 -68.73 -17.55 64.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.879 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 HD11 ' A' ' 74' ' ' ILE . 60.4 mt -60.2 -42.73 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.294 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.32 88.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.19 -43.08 92.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.352 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.04 -41.04 99.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 49.2 mt-10 -58.62 -48.9 79.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.958 177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.33 -35.0 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.984 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.18 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.94 32.81 0.97 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.304 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 63.7 t -96.99 110.67 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -106.14 -17.27 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.198 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.412 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 19.7 m -143.26 156.69 44.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.5 m -122.89 145.82 46.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.968 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 95.4 Cg_endo -80.77 151.93 81.4 Favored 'Cis proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.11 -1.621 . . . . 0.0 113.135 1.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -125.69 130.92 52.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.036 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HG ' ' HD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -105.27 107.89 19.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.149 0.499 . . . . 0.0 109.994 -178.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 5' ' ' ALA . 48.0 t -88.48 94.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.363 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 39.5 mt -91.8 121.08 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 4.2 m-20 71.03 -53.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.812 0.695 . . . . 0.0 110.909 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.55 -21.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.299 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.83 137.49 32.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.973 0.386 . . . . 0.0 110.461 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.83 107.13 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.924 0.393 . . . . 0.0 111.455 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.1 114.77 29.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.856 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 69.2 m80 -72.14 148.12 45.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.47 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.581 HD11 HD12 ' A' ' 59' ' ' LEU . 64.0 mt -119.42 103.14 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 92.5 m-20 66.62 -178.7 0.2 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.612 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -123.47 90.52 3.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.56 -62.32 1.64 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 152.21 46.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.0 163.24 26.67 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.327 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.521 HD11 HG23 ' A' ' 45' ' ' ILE . 10.8 tp -73.69 -26.6 21.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 109.914 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.09 -33.41 44.46 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.272 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.13 -17.86 58.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.107 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.6 tp -69.15 -34.38 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 178.736 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.733 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 44.2 m -80.06 167.92 19.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.029 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' B' ' 34' ' ' GLU . 59.8 tttp -83.67 88.91 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.4 104.65 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.852 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.3 mt -96.96 117.85 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -176.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.481 ' HE1' HD12 ' B' ' 68' ' ' ILE . 88.1 t80 -98.64 119.58 37.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.007 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.518 ' HB3' HD11 ' B' ' 38' ' ' LEU . 91.5 m-85 -102.17 122.74 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 10.1 p80 -142.5 173.25 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.09 19.57 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.727 0.299 . . . . 0.0 111.212 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.27 64.6 2.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.367 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -133.27 157.49 78.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.05 -33.08 88.72 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.696 2.264 . . . . 0.0 112.107 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -60.88 -36.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.704 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 20.3 m -68.42 -36.53 79.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 -51.04 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.6 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.295 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.65 -51.65 53.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.961 0.41 . . . . 0.0 111.185 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -71.22 -16.4 62.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.082 -173.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.05 -66.47 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 111.397 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -48.81 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.317 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.93 4.94 10.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -107.4 -33.46 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.27 83.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.594 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -93.62 97.2 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.988 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -58.45 133.83 85.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.592 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 29.7 Cg_endo -64.67 -14.37 44.28 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.844 2.363 . . . . 0.0 111.567 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.34 -19.75 38.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.956 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -98.54 -43.48 6.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.511 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 2' ' ' ALA . 90.4 m-85 -136.38 138.77 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.424 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -77.36 100.34 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.49 120.63 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.5 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' B' ' 4' ' ' LYS . 47.7 mt-10 -106.39 121.37 44.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.342 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -87.74 107.38 17.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.071 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.71 117.54 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -88.59 113.09 23.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.039 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 8' ' ' TYR . 52.5 mt -81.66 -15.17 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.049 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.25 -19.81 71.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.532 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -72.43 -47.88 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.44 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 54.2 m-20 -127.27 121.99 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 -176.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -74.73 -18.71 60.46 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.76 -22.02 66.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.505 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.508 ' HG2' ' OE1' ' B' ' 47' ' ' GLU . 72.3 mtt180 -75.52 -18.11 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.957 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.8 -37.02 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.508 ' OE1' ' HG2' ' B' ' 44' ' ' ARG . 42.1 mt-10 -73.48 -33.07 64.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 109.998 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -64.1 -35.18 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.063 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.11 -31.98 73.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.69 175.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 66.3 mttm -69.09 -51.24 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.349 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.35 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.472 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.69 42.8 3.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.912 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.0 t -91.87 119.63 39.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.655 0.264 . . . . 0.0 110.359 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.76 -29.01 17.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.44 . . . . 0.0 110.672 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -140.35 137.98 34.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.895 0.379 . . . . 0.0 111.183 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' B' ' 57' ' ' PRO . 15.6 m -79.02 -161.1 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.55 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.999 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' B' ' 56' ' ' VAL . 0.7 OUTLIER 11.8 92.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 123.531 2.821 . . . . 0.0 114.454 -135.52 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' B' ' 66' ' ' PHE . . . -144.39 175.67 9.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 113.753 -1.567 . . . . 0.0 110.77 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.79 117.48 10.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.05 106.37 20.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 110.285 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.62 92.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.714 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.733 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 13.1 t70 48.65 69.04 0.6 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.611 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.24 -35.66 3.94 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.836 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 111.67 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.31 123.0 34.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.834 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.474 ' O ' ' HB1' ' B' ' 58' ' ' ALA . 67.8 m-85 -129.46 154.94 46.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.547 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.18 139.0 50.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' B' ' 7' ' ' PHE . 60.5 mt -97.08 102.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 91.0 m-20 60.76 -161.16 0.29 Allowed 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -168.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -105.13 94.46 5.25 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 172.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.56 -90.01 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.35 -0.928 . . . . 0.0 110.892 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.2 128.08 21.97 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.116 174.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.75 136.69 50.1 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.115 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.5 tt -65.04 -19.97 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 117.434 0.617 . . . . 0.0 110.187 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.01 -43.93 97.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.053 173.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.65 -26.09 41.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.293 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.929 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 110.255 178.627 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.447 -0.616 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 12.9 m -62.12 148.51 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.897 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -73.09 101.51 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.027 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -94.86 103.9 15.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.967 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 28.8 mt -96.73 116.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -99.07 114.97 27.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 44.8 m-85 -99.57 119.77 38.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.14 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 6.8 p80 -140.19 162.88 34.21 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.794 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.17 17.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.629 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.02 27.67 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.357 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 28.9 p -97.22 168.33 10.4 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 78.8 Cg_exo -49.88 -39.78 48.88 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.712 2.275 . . . . 0.0 112.823 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.01 -35.09 66.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.088 0.47 . . . . 0.0 110.665 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 84.1 m -69.64 -40.04 76.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.93 -44.75 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 m -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.86 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -79.98 -4.35 52.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 -65.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.459 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.33 -48.0 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.028 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.26 3.46 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -106.63 -28.53 10.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.378 0.609 . . . . 0.0 109.5 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.67 -35.27 67.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.89 92.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.065 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 7.9 p-10 -94.18 153.7 40.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.757 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -59.05 -13.61 19.81 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.67 2.913 . . . . 0.0 114.332 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.02 -33.7 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.977 0.418 . . . . 0.0 110.168 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 54.4 tttp -100.7 -47.69 4.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.729 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 93.7 m-85 -136.31 124.9 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.613 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 19.7 m -81.39 123.84 28.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.039 0.447 . . . . 0.0 111.026 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 39.7 t -102.61 135.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.793 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -108.26 138.73 44.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.121 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.13 118.5 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.578 0.227 . . . . 0.0 110.751 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.8 123.19 70.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -99.41 114.39 27.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.031 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HG11 ' A' ' 56' ' ' VAL . 88.6 mt -88.34 -9.68 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 39.38 3.0 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.324 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.8 m -152.23 -68.24 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.323 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 9.5 t70 -89.7 136.48 33.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.39 -23.41 32.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.64 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.57 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 1.7 mmp_? -52.62 -41.92 64.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.099 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.67 -45.29 95.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -58.65 -43.22 89.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.685 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.51 -40.95 96.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.843 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.38 77.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.871 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.24 -14.51 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 66.4 mttm -85.84 -39.12 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.461 . . . . 0.0 109.802 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.73 -34.86 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.569 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.55 40.17 1.8 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.742 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.39 132.67 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.09 -38.98 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 45.5 m -146.39 167.07 24.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 38' ' ' LEU . 30.7 m -122.94 151.1 60.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.679 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.6 Cg_endo -76.18 155.66 98.48 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 123.213 -1.578 . . . . 0.0 112.929 0.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -125.24 154.66 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.624 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.245 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 58.6 t -91.24 107.44 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 63' ' ' GLY . 49.1 mm -93.49 97.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.587 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 26.2 t70 72.09 -21.98 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.588 0.755 . . . . 0.0 112.224 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.44 -27.84 0.18 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.08 130.5 34.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.9 110.0 22.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.417 . . . . 0.0 111.411 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.86 164.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.891 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.513 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -122.35 149.39 43.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.679 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 mm -111.91 103.63 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' B' ' 67' ' ' HIS . 87.3 m-20 65.36 -168.95 0.2 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.518 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -124.15 84.76 2.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.07 -70.7 1.32 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.252 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 146.28 39.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.464 0.173 . . . . 0.0 110.803 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -87.72 141.08 16.97 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.582 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 tt -69.93 -26.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.864 0.364 . . . . 0.0 111.309 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -76.34 -34.5 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.457 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.29 -25.83 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.468 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -69.12 -13.93 62.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.966 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.527 178.07 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 59.9 m -84.51 172.93 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 62' ' ' ASP . 28.2 mtpp -71.53 132.39 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.177 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 85.27 2.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.72 120.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -98.33 129.93 45.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.88 130.48 55.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.663 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -158.07 160.75 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.433 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 20.79 15.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.53 89.74 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.443 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.482 ' O ' HG23 ' B' ' 16' ' ' VAL . 23.6 p -156.96 160.17 30.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' B' ' 12' ' ' CYS . 13.9 Cg_endo -57.18 -32.24 92.91 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.521 2.147 . . . . 0.0 112.701 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.72 -45.44 95.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.48 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.858 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 22.0 p -76.41 -23.09 54.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.568 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 12' ' ' CYS . 64.2 t -61.8 -35.72 69.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -61.73 -49.39 76.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.992 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.43 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.919 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.48 -50.01 75.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.301 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -89.14 -1.14 57.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.58 -69.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.596 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.92 -43.7 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.82 -1.18 26.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.269 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -106.15 -16.1 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.637 0.732 . . . . 0.0 109.203 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -80.6 -37.97 30.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.015 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.12 114.17 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 16.3 t70 -64.92 128.06 93.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.449 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 31.5 Cg_exo -60.2 -23.4 73.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.432 2.755 . . . . 0.0 113.997 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.5 p -104.28 -3.69 23.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 52.9 tttp -84.98 -39.42 18.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.714 ' HD1' ' H ' ' B' ' 3' ' ' SER . 60.1 m-85 -140.02 163.35 32.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.0 m -78.38 93.75 4.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.34 112.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.219 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.98 141.93 49.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.832 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.35 115.14 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.17 113.9 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.137 0.494 . . . . 0.0 110.443 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -91.6 111.74 23.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.91 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.58 HD12 HG12 ' B' ' 56' ' ' VAL . 55.9 mt -90.27 -6.99 54.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.791 -177.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.56 38.74 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.566 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -156.68 -45.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 109.791 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.618 ' HB3' ' HD2' ' B' ' 44' ' ' ARG . 14.2 t70 -109.7 122.32 47.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.425 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.13 -20.29 41.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.165 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.27 79.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.096 0.474 . . . . 0.0 110.137 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.618 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 67.1 mtt85 -60.15 -32.34 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.232 175.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -44.52 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.07 0.462 . . . . 0.0 110.063 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -10.58 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.11 -36.06 12.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 110.137 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.78 87.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.25 -16.62 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.529 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -77.07 -51.92 10.22 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.02 -33.89 75.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.17 33.96 1.42 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.261 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.73 104.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -77.81 -30.43 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.587 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 p -151.46 154.8 37.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.611 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.6 m -71.94 -167.39 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.448 174.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.858 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 6.6 Cg_exo 12.57 91.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.057 3.171 . . . . 0.0 115.383 -136.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.81 154.51 37.42 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.635 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tt -131.55 129.36 40.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 109.962 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.89 111.74 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -99.09 118.66 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' HD3' ' B' ' 4' ' ' LYS . 26.6 t70 67.31 -68.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.959 0.904 . . . . 0.0 111.353 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.62 19.12 0.16 Allowed Glycine 0 C--N 1.312 -0.752 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.2 132.46 53.0 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.53 115.79 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.305 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -115.14 114.25 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.039 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 58' ' ' ALA . 72.1 m80 -72.35 131.1 42.19 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.315 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 43.0 mm -92.25 99.31 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.8 m-20 66.07 -171.45 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -100.11 101.22 12.21 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.92 0.1 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.288 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.13 132.33 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.398 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' B' ' 77' ' ' LEU . . . -58.61 124.69 37.36 Favored Glycine 0 C--O 1.229 -0.219 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.642 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.3 tt -67.65 -25.0 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 117.155 0.477 . . . . 0.0 111.289 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.05 -30.06 39.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.1 -24.2 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.708 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 73' ' ' GLY . 93.8 mt -70.9 -11.87 61.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.05 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.482 0.658 . . . . 0.0 109.319 174.112 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.71 140.84 29.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -79.15 112.04 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.357 0.598 . . . . 0.0 111.326 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -108.62 106.79 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.557 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.01 116.04 36.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 110.3 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 61.2 t80 -100.79 98.51 9.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 54.6 m-85 -86.05 108.19 18.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.963 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 8.2 p80 -119.62 161.49 20.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.738 0.304 . . . . 0.0 110.69 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.32 -4.64 31.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.285 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.56 89.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.35 157.08 83.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.25 -41.49 50.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.185 2.59 . . . . 0.0 112.624 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.27 -38.03 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 9' ' ' HIS . 61.1 m -66.95 -37.11 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.142 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 60.2 t -64.13 -47.35 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.434 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 m -59.57 -39.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 26.8 tt0 -68.5 -47.69 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 96.4 mt-30 -58.32 -35.34 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.592 -177.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.68 -65.74 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.01 -48.07 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -70.87 -14.02 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' HE2' ' B' ' 30' ' ' LYS . 18.5 m-80 -103.04 -3.6 25.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.301 175.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' HE1' ' B' ' 31' ' ' TYR . . . -88.26 -31.62 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.242 0.544 . . . . 0.0 109.675 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.17 96.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.268 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 9.3 m-20 -58.37 130.83 84.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.077 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 34.6 Cg_exo -61.73 -15.45 42.36 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.247 2.631 . . . . 0.0 112.95 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -88.41 -23.65 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 0.0 110.014 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -79.12 -47.77 15.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 94.0 m-85 -140.01 138.0 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.931 173.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -75.97 101.68 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 0.0 111.603 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.0 131.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -114.92 104.19 11.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.936 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.96 119.52 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.385 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 59.1 t -128.96 125.64 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -85.68 119.8 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.4 tp -110.55 4.16 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 110.582 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.76 -31.86 42.99 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -93.84 -41.46 9.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.011 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -76.36 101.78 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.069 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -83.05 -10.56 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -33.56 32.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.892 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -76.26 4.02 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.26 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.76 -33.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.18 75.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.012 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 32.0 tt0 -73.32 -26.88 61.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.18 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.818 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.66 -28.11 68.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.243 0.544 . . . . 0.0 110.358 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 47' ' ' GLU . 62.0 tttm -70.61 -38.79 74.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.113 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.17 -35.05 14.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.623 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.11 20.84 5.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.984 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.07 107.58 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -100.7 -16.62 17.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -154.05 165.23 36.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.7 145.07 48.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.559 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.08 145.79 55.98 Favored 'Cis proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.12 -1.617 . . . . 0.0 112.766 0.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.53 126.56 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.837 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -101.1 101.97 12.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.4 t -85.47 97.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' GLY . 58.9 mt -90.39 107.26 18.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.019 -177.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 72.87 -23.22 0.21 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.728 0.642 . . . . 0.0 111.759 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 152.53 -10.85 0.62 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.94 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.06 117.55 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -83.63 113.26 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.387 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -104.53 108.06 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.214 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 56.4 m80 -79.32 117.53 20.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.182 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.71 98.87 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.687 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 68.52 121.23 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.928 0.767 . . . . 0.0 111.195 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -72.43 96.9 1.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.958 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.32 -61.93 1.3 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 134.88 33.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.4 159.02 23.13 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.715 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.91 -32.25 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.81 -32.91 74.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.0 110.73 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.08 -42.94 36.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.878 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.76 -25.63 53.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.323 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 tttm . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.583 0.706 . . . . 0.0 110.137 -176.736 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' B' ' 31' ' ' TYR . 17.1 m -64.47 151.51 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.301 -175.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 1.6 tpmt? -61.38 139.56 58.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.237 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' B' ' 33' ' ' VAL . . . -141.72 97.4 3.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.2 mm -104.3 117.58 50.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -100.56 121.87 42.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.316 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 83.1 m-85 -102.64 129.36 49.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.347 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.919 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 28.5 p80 -150.11 172.38 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.843 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.09 -7.01 11.92 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.06 -3.16 55.34 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.155 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.524 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 58.2 m -66.28 163.9 35.22 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.259 0.224 . . . . 0.0 110.525 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 6.6 Cg_endo -49.09 -42.72 38.45 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.22 2.613 . . . . 0.0 112.831 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.28 -34.31 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.162 0.506 . . . . 0.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 33.5 m -66.28 -40.55 90.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.389 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.41 -50.79 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.763 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.71 -44.02 90.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.52 65.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.478 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 19.2 tt0 -64.17 -33.2 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 110.631 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.31 -63.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.352 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 -49.11 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -171.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.522 HG21 HG21 ' B' ' 68' ' ' ILE . 44.3 t -68.06 -41.2 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -171.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.43 -22.72 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -98.29 -3.86 36.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -88.47 -43.45 11.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.656 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -75.62 125.72 35.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 14.5 t70 -69.98 124.8 91.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.362 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -11.72 31.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.205 2.604 . . . . 0.0 113.23 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -99.6 -9.29 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.41 0.624 . . . . 0.0 109.642 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.514 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 36.9 tttp -93.54 -45.66 7.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.223 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' B' ' 3' ' ' SER . 93.8 m-85 -129.03 149.17 50.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.647 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.7 m -86.93 92.2 8.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.012 0.434 . . . . 0.0 110.067 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' B' ' 5' ' ' ALA . 40.2 t -84.48 115.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.021 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -121.86 134.78 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -97.59 125.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.518 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' B' ' 8' ' ' TYR . 90.1 t -121.96 127.84 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.26 124.18 31.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.12 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 tp -126.33 108.87 11.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.196 0.522 . . . . 0.0 109.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.71 -58.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.082 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -80.66 -10.04 59.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.629 0.728 . . . . 0.0 109.842 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -103.6 106.55 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.971 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -88.84 -9.46 51.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.95 -49.73 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 0.0 111.067 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -82.25 10.14 7.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.981 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.489 HG23 HD11 ' B' ' 74' ' ' ILE . 55.3 mt -61.72 -37.01 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 171.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.93 -29.84 70.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.942 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.83 -40.72 83.75 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.925 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.14 -40.08 88.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.98 -29.24 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.915 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 97.8 mttt -71.43 -41.7 69.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 110.626 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.3 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.67 23.2 8.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.919 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.3 t -81.94 102.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.16 -16.6 32.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.249 0.547 . . . . 0.0 110.662 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.9 m -148.34 143.35 26.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.788 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.579 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 10.2 m -71.72 -169.23 0.11 Allowed Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.919 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 16.09 86.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 0 C-N-CA 123.792 2.995 . . . . 0.0 115.009 -135.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.6 152.77 30.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.093 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tt -123.49 128.11 49.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 35.7 t -98.24 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.566 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.35 101.67 12.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.931 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' HA ' ' HB3' ' B' ' 4' ' ' LYS . 27.5 t70 66.0 -70.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.099 0.96 . . . . 0.0 111.585 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.38 8.05 1.84 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.981 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.79 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -87.46 120.6 28.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -114.63 120.38 39.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.131 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.431 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.2 m80 -77.49 118.97 20.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.907 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.522 HG21 HG21 ' B' ' 22' ' ' VAL . 58.6 mt -108.05 94.91 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 66.22 118.2 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.14 0 O-C-N 124.084 0.865 . . . . 0.0 109.649 -170.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -55.06 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.992 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.37 -90.83 0.29 Allowed Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.534 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.559 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.73 136.35 34.09 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.252 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.94 134.57 17.37 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.298 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.489 HD11 HG23 ' B' ' 45' ' ' ILE . 14.9 tt -68.44 -24.29 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.315 0.579 . . . . 0.0 109.625 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' B' ' 78' ' ' LYS . 4.5 m-20 -63.39 -25.64 68.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.922 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -74.17 -36.35 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.57 -25.64 57.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' B' ' 75' ' ' ASP . 52.5 mttm . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.857 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.968 0.413 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.38 155.72 19.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -89.7 138.82 31.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.085 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.11 113.25 21.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.229 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mt -95.12 121.35 45.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.638 ' HD2' HG23 ' A' ' 35' ' ' ILE . 73.6 t80 -104.1 102.73 12.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -89.94 122.74 33.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.275 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 11.6 p80 -133.79 175.28 9.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.628 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.95 19.39 10.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.331 -177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.88 19.92 78.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.893 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.6 151.54 61.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.61 -38.86 84.39 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.727 2.284 . . . . 0.0 112.308 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -60.67 -35.7 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.873 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 35.2 m -65.56 -39.81 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.15 -40.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -63.6 -37.65 88.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.675 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.53 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.591 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.4 tt0 -64.06 -43.02 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.036 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.86 -22.02 46.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.056 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.27 -67.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.54 -44.44 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.328 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -74.82 -4.27 36.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.568 -177.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -101.73 -15.08 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 110.4 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.64 -32.95 20.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.354 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.06 108.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.531 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.673 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 7.7 t70 -70.44 129.54 90.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.77 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 32.2 Cg_exo -59.8 -18.47 49.08 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.266 2.644 . . . . 0.0 112.996 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -76.72 -17.79 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.462 . . . . 0.0 110.362 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -104.06 -44.65 4.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.365 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 82.7 m-85 -138.18 141.62 40.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.467 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.5 m -90.58 108.26 19.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.058 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -84.16 111.99 20.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.12 106.32 15.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.004 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 7' ' ' PHE . 64.2 mt -89.87 123.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.58 127.71 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -76.99 106.43 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 33.4 tp -76.65 -12.03 59.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.987 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.22 -8.09 75.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.246 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -85.7 -40.85 15.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -116.0 121.59 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.69 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.12 -25.43 34.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.34 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.991 0.424 . . . . 0.0 110.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.51 -24.06 65.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.505 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 69.9 mt -62.12 -43.16 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.205 0.526 . . . . 0.0 109.665 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.14 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.697 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.36 -42.06 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.107 0.479 . . . . 0.0 109.883 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -60.68 -35.25 75.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.168 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.96 -25.0 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -82.16 -26.66 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.346 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.65 16.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.804 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.65 24.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.954 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.5 t -86.4 125.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -123.78 -10.32 7.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.391 . . . . 0.0 110.945 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.469 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 30.2 m -152.41 172.73 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.013 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.01 144.1 51.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.591 0.234 . . . . 0.0 110.54 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.33 157.6 78.39 Favored 'Cis proline' 0 C--N 1.343 0.288 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.72 -0.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.0 tp -98.99 100.73 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.793 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.6 t -90.34 96.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.547 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.44 98.19 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 65.68 4.31 2.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.906 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.66 -30.62 2.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.09 114.37 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.53 112.49 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' B' ' 68' ' ' ILE . 83.3 m-85 -106.79 111.01 23.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.183 177.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 53.4 m80 -77.32 108.39 10.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.312 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.426 HD12 ' HE1' ' A' ' 7' ' ' PHE . 62.9 mt -85.35 102.51 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.87 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 64.77 102.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.32 104.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.139 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.84 -60.53 0.97 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 162.73 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -91.95 166.67 30.08 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.536 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.0 tt -72.44 -17.11 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.582 0.706 . . . . 0.0 109.608 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -80.57 -24.35 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.86 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.49 -27.45 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.16 0.505 . . . . 0.0 109.945 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.73 -24.11 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.369 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.77 176.691 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -82.9 153.29 25.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' B' ' 6' ' ' ILE . 54.5 pttt -87.23 136.59 32.87 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.284 -175.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.4 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -111.73 121.28 44.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.68 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.53 HD11 ' HE3' ' B' ' 4' ' ' LYS . 36.7 mt -95.69 120.09 44.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.12 0.486 . . . . 0.0 110.863 -171.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -100.23 104.23 15.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.803 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -91.78 122.99 34.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.311 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.818 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.0 p80 -144.1 178.35 7.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.87 9.56 6.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.655 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.99 -24.59 17.5 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.284 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -51.57 147.74 10.6 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.388 0.275 . . . . 0.0 111.174 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.1 -30.03 23.86 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.495 2.797 . . . . 0.0 113.744 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.57 -36.81 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.1 m -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.086 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.57 -42.6 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.868 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -59.67 -47.88 83.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.79 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.653 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.11 -53.19 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.98 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.23 -51.97 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.659 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -54.57 6.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.0 -37.39 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.21 -13.72 61.2 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -96.59 -22.88 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.288 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.31 30.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.034 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -84.34 122.37 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.016 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.5 ' HB2' ' HG3' ' B' ' 30' ' ' LYS . 30.5 m-20 -75.19 131.66 77.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.709 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 36.0 Cg_exo -61.3 -17.15 51.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.812 2.342 . . . . 0.0 111.901 175.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -73.82 -27.2 61.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.64 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.673 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 67.0 mttm -83.84 -49.87 8.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.367 0.603 . . . . 0.0 109.547 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 98.0 m-85 -136.2 132.93 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.72 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -75.63 112.41 11.96 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.47 109.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 0.0 110.479 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.19 103.91 15.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.909 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.71 123.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' B' ' 44' ' ' ARG . 54.3 t -125.66 120.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 110.944 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -92.8 99.31 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.995 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.532 HD12 HG12 ' B' ' 56' ' ' VAL . 51.0 mt -80.91 -1.26 42.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.13 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.85 -3.02 88.3 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.054 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 -55.17 2.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.056 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.14 121.14 37.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.237 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' B' ' 45' ' ' ILE . 89.3 mttt -89.72 -18.84 25.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.506 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -62.65 -48.5 79.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.837 0.351 . . . . 0.0 110.748 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.671 ' HG2' HG11 ' B' ' 36' ' ' VAL . 0.7 OUTLIER -67.98 -26.94 66.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 42' ' ' LYS . 61.8 mt -58.18 -54.41 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.747 0.308 . . . . 0.0 110.797 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.57 77.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.546 ' CD ' HH21 ' B' ' 44' ' ' ARG . 40.3 mt-10 -66.92 -41.31 87.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.31 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.17 90.09 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.1 -42.53 76.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.65 -18.73 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.77 -30.94 51.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.42 5.68 7.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.43 111.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -90.12 -25.56 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.401 -174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -149.39 156.55 42.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.943 0.401 . . . . 0.0 111.65 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.585 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 9.1 m -79.02 -167.66 0.14 Allowed Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.818 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.9 OUTLIER 12.71 84.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 123.607 2.871 . . . . 0.0 114.544 -135.641 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.427 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -144.83 147.95 33.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.886 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.4 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 tt -119.43 112.34 19.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 47.2 t -90.89 102.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.217 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.85 95.65 5.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.183 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 45.87 75.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.22 -38.78 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.321 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.79 38.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.052 0.426 . . . . 0.0 111.13 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.54 118.43 30.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.468 . . . . 0.0 111.329 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.53 103.37 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.148 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.59 127.34 32.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.061 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 47.3 mm -97.73 93.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 68' ' ' ILE . 87.0 m-20 71.14 171.96 0.32 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.127 -168.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -91.06 92.03 8.54 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.21 -96.07 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.462 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.71 132.48 29.09 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.601 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.75 128.26 44.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.559 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.89 -23.76 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.43 0.633 . . . . 0.0 110.407 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -76.92 -32.26 57.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.934 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -21.26 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.906 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.19 -17.12 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.595 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.108 0.48 . . . . 0.0 109.97 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.637 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 19.3 p -84.32 -160.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -120.63 153.66 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.511 0.672 . . . . 0.0 112.296 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.22 116.34 16.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.413 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 13.4 mt -102.77 118.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.607 ' HB3' HG12 ' A' ' 35' ' ' ILE . 64.3 t80 -97.07 114.08 25.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.267 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 38' ' ' LEU . 89.2 m-85 -101.38 128.64 47.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.349 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -149.12 178.1 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.411 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.74 10.61 9.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.92 -15.43 60.8 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.602 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 44.3 t -57.59 136.25 82.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.434 0.294 . . . . 0.0 110.805 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 78.7 Cg_exo -48.53 -23.91 5.85 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.689 2.926 . . . . 0.0 114.128 -175.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.5 -34.48 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.065 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -77.1 -26.82 53.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.585 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.18 -47.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -57.62 -47.42 82.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.205 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.07 91.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.749 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.43 -54.75 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.985 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.4 -20.8 65.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.629 -174.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.19 -65.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.713 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 t -80.27 -50.74 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.78 -171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.45 -26.86 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.943 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -81.14 -24.65 37.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.234 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.64 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.051 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.7 109.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.58 138.09 88.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 44.1 Cg_endo -69.0 -3.25 11.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.95 2.434 . . . . 0.0 112.184 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -95.59 -14.29 23.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.11 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -98.14 -39.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.294 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 61.8 m-85 -141.72 146.47 36.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.821 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -77.75 98.59 5.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.429 . . . . 0.0 110.383 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -81.52 118.47 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.409 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 32.9 tt0 -124.21 126.91 46.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.607 HG12 ' HB3' ' A' ' 7' ' ' PHE . 64.9 mt -115.21 133.14 62.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.7 124.47 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.882 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.83 108.37 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.054 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 8' ' ' TYR . 91.1 mt -87.73 -20.2 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.246 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 34.05 2.39 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.815 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -144.08 -57.87 0.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.023 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.28 118.43 32.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.009 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.41 -30.77 70.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.186 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.9 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.931 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -75.6 -21.48 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.921 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.04 -34.33 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.078 0.466 . . . . 0.0 109.824 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.24 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.566 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.71 -38.72 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.167 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -64.12 -43.72 94.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.654 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.97 -42.32 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.684 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.08 -28.59 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.463 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.87 53.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.35 20.95 33.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 60.6 t -77.98 111.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.973 0.416 . . . . 0.0 110.098 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.64 -30.22 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.2 m -147.78 166.4 27.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.27 146.78 43.45 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.334 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.36 150.54 51.23 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.292 -1.545 . . . . 0.0 112.932 0.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -135.35 125.95 26.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 tt -102.44 109.33 20.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.5 t -94.85 106.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.5 mt -90.12 99.04 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.637 ' OD1' ' HB2' ' A' ' 3' ' ' SER . 63.8 m-20 65.47 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 111.77 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.86 10.7 4.24 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.65 116.59 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 110.448 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -93.29 117.5 30.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 -176.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.435 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 95.5 m-85 -111.59 104.42 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 75.7 m80 -73.5 115.92 13.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.578 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.1 mt -88.84 95.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 66.65 -169.3 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.004 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -130.15 106.69 8.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 110.806 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.16 -67.09 0.83 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.574 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.67 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.57 166.02 41.19 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 17.4 tt -66.31 -31.01 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 117.01 0.405 . . . . 0.0 110.754 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 1.2 m-20 -75.36 -22.77 57.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -69.92 -27.62 64.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 109.68 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.19 -26.94 32.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.359 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 88.9 mttt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.95 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.18 161.32 22.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.973 0.416 . . . . 0.0 110.939 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.501 ' HD2' HD11 ' B' ' 6' ' ' ILE . 34.6 ttpt -92.1 133.1 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.774 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.597 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -128.29 112.11 14.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.501 HD11 ' HD2' ' B' ' 4' ' ' LYS . 42.7 mm -99.3 122.45 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.95 0.405 . . . . 0.0 110.947 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.407 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.8 t80 -99.15 122.29 42.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.771 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -105.76 132.58 51.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.876 0.369 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.854 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 4.7 p80 -144.05 176.64 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.48 16.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.78 -108.4 0.57 Allowed Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 119.828 -1.177 . . . . 0.0 112.198 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HD3' ' B' ' 13' ' ' PRO . 49.9 t -176.08 -55.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.846 -175.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' B' ' 12' ' ' CYS . 75.8 Cg_exo -50.34 -65.02 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 122.5 2.134 . . . . 0.0 113.589 -171.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.71 -24.74 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 110.31 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 25.3 m -66.93 -46.48 74.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.182 -175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.07 -30.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -61.6 -52.4 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.477 . . . . 0.0 109.905 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.75 70.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -67.7 -41.3 83.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -96.46 -2.82 44.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.21 -61.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.475 HG11 HD13 ' B' ' 68' ' ' ILE . 56.7 t -70.09 -50.34 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.293 . . . . 0.0 111.085 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -6.71 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.073 0.463 . . . . 0.0 111.041 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -95.04 -27.72 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.328 0.585 . . . . 0.0 109.65 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -78.92 -37.64 39.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.564 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.42 121.54 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.9 t70 -73.33 124.64 90.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.794 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 39.5 Cg_exo -61.75 -23.2 75.88 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.312 2.675 . . . . 0.0 113.451 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -85.87 -10.94 54.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.991 0.424 . . . . 0.0 110.193 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.64 -46.43 6.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -127.8 121.0 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.565 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.67 96.06 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 61.9 t -83.18 118.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.85 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -119.28 124.87 47.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.407 HG23 ' HD2' ' B' ' 7' ' ' PHE . 69.9 mt -94.88 127.62 46.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 -174.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.54 129.06 76.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.518 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -91.04 122.32 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.31 8.33 35.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.97 29.86 6.65 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.033 -174.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -155.18 -67.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.79 0.295 . . . . 0.0 110.739 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.54 122.65 19.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 45' ' ' ILE . 54.0 mttp -83.02 -25.6 32.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.81 88.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.135 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -75.73 -23.61 56.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.395 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 42' ' ' LYS . 73.0 mt -65.01 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.15 -36.55 82.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.617 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.86 -40.94 92.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -55.81 -44.03 77.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.321 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.66 -46.67 67.28 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 26.2 mttm -84.35 -17.97 37.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.956 -171.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.95 -30.25 24.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.011 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.27 -2.0 11.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.372 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.51 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 28.3 t -81.04 105.46 11.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.43 -6.16 19.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 30.2 m -150.37 145.42 26.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.52 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.64 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.5 m -77.04 -172.2 0.29 Allowed Pre-proline 0 C--O 1.238 0.461 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.854 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.19 88.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 124.11 3.207 . . . . 0.0 115.241 -137.259 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.94 158.51 44.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.731 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -124.48 121.02 33.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.803 0.335 . . . . 0.0 110.74 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.2 t -94.82 101.22 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' B' ' 63' ' ' GLY . 64.3 mt -92.48 109.71 21.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 72.5 -28.54 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.972 0.909 . . . . 0.0 112.084 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 165.17 -23.46 0.15 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.11 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.72 0.295 . . . . 0.0 110.618 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.74 121.17 30.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.59 114.63 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 61.7 m80 -75.82 130.02 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.475 HD13 HG11 ' B' ' 22' ' ' VAL . 64.2 mt -116.07 102.08 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -174.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 60.8 m-20 60.11 98.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.917 0.76 . . . . 0.0 109.455 -170.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.93 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.222 0.951 . . . . 0.0 111.968 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.57 -90.07 0.32 Allowed Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.209 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.65 121.2 15.18 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.474 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.17 158.1 53.51 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.27 -41.35 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.735 0.302 . . . . 0.0 110.622 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -29.32 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.455 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -76.91 -44.5 31.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -31.85 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.686 -177.92 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -87.95 -179.83 6.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.794 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HE2' HG12 ' A' ' 6' ' ' ILE . 85.8 tttt -82.66 134.57 35.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.315 0.579 . . . . 0.0 111.636 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -120.94 110.49 16.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.093 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.739 HG12 ' HE2' ' A' ' 4' ' ' LYS . 1.4 mt -99.39 114.19 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.635 0.255 . . . . 0.0 110.893 -172.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' ILE . 50.0 t80 -100.72 108.61 20.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 0.0 110.599 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -100.4 126.41 46.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.106 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 p80 -150.94 -177.48 6.03 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.875 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.85 17.4 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 15.0 81.45 Favored Glycine 0 C--O 1.231 -0.08 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.033 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.81 154.69 87.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.64 -34.37 73.35 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.883 2.388 . . . . 0.0 112.126 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.436 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 17.2 m -69.33 -34.59 74.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.396 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.16 -47.68 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.569 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t -59.8 -44.01 94.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.244 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 33.0 tt0 -67.16 -49.69 63.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -77.44 -9.81 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 -57.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.94 -47.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.743 0.306 . . . . 0.0 110.726 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -75.54 -3.09 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.649 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -88.97 -34.91 16.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 26' ' ' ILE . . . -75.35 -33.9 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.509 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.28 94.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.662 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 39.5 m-20 -60.79 138.27 93.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.505 -176.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 23.6 Cg_exo -65.05 -15.73 51.86 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.995 2.463 . . . . 0.0 112.037 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 m -89.22 -19.51 25.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 57.1 tttp -88.35 -42.01 12.48 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 72.8 m-85 -134.06 146.65 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.921 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -82.79 91.49 7.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.076 0.465 . . . . 0.0 110.256 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 42.7 t -83.91 116.0 27.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.387 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 7' ' ' PHE . 63.5 mt -99.13 126.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.664 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.08 130.23 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.298 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -95.04 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.06 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.28 -19.02 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.5 5.23 84.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 m -103.12 -28.67 11.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.681 0.276 . . . . 0.0 111.256 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 27.1 t70 -136.88 148.6 47.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 0.0 111.752 -172.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.6 -39.19 24.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.669 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.65 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.271 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 32.1 mmt180 -58.22 -30.33 66.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.568 178.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.17 -44.01 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.122 0.487 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.26 75.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -73.65 -39.56 64.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.433 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.0 -42.32 98.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.484 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.99 -22.78 66.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.311 . . . . 0.0 111.171 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -82.78 -41.17 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.15 86.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.027 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.96 3.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.578 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 51.7 t -87.8 105.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.94 -21.1 15.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m -144.56 167.53 22.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.363 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.37 143.91 46.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.8 0.333 . . . . 0.0 110.726 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -86.35 154.01 50.1 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.24 -1.567 . . . . 0.0 112.929 -1.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -134.32 130.59 37.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.761 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 61' ' ' ILE . 1.5 tt -111.61 111.67 22.83 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.2 t -85.26 95.96 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.898 178.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.516 HG12 HD22 ' A' ' 59' ' ' LEU . 57.7 mt -90.55 114.04 27.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 72.02 -14.66 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.702 0.626 . . . . 0.0 111.758 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.84 -19.86 2.36 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.153 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.69 132.11 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.607 0.242 . . . . 0.0 110.558 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -87.29 126.66 34.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.002 0.43 . . . . 0.0 111.508 -176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.49 109.69 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.534 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.0 m80 -74.15 121.8 21.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.746 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.17 100.62 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 68.0 108.26 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.799 0.687 . . . . 0.0 110.769 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.26 94.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.7 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.95 -71.21 1.26 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.691 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.3 47.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.586 0.231 . . . . 0.0 110.793 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.61 141.87 16.36 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.483 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.1 tt -69.41 -23.56 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.222 0.535 . . . . 0.0 110.516 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.709 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 27.7 t70 -67.85 -26.03 65.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.585 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -78.1 -17.13 57.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.573 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.13 6.55 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 94.0 mttt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.418 0.151 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' B' ' 32' ' ' THR . 50.5 m 56.42 -157.81 0.26 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -134.23 126.48 29.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.418 0.628 . . . . 0.0 111.205 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -118.55 100.62 7.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.152 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 48.2 mt -99.04 119.86 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.463 . . . . 0.0 111.378 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -98.44 120.46 38.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.924 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -105.01 130.87 53.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.457 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 5.0 p80 -159.56 179.85 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.904 0.383 . . . . 0.0 111.117 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.67 24.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.24 23.0 64.1 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.879 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' B' ' 16' ' ' VAL . 14.3 m -77.58 147.27 74.76 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.25 -29.46 57.27 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.651 2.234 . . . . 0.0 112.414 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.53 -51.08 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.278 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 6.4 p -75.57 -20.63 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.308 -176.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.606 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 88.5 t -59.87 -53.23 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.0 m -61.06 -35.34 76.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.741 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 30.4 tt0 -68.91 -30.91 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 67.2 mt-30 -83.15 -20.33 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.536 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 -61.51 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.925 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.59 HG11 HD13 ' B' ' 68' ' ' ILE . 40.0 t -66.57 -40.32 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.666 0.27 . . . . 0.0 111.003 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.62 -8.38 55.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.333 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -105.99 -9.09 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.441 173.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -84.85 -44.93 12.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 25' ' ' ALA . 71.6 mt -78.85 106.89 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 14.5 t70 -58.85 122.82 64.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -173.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 27.4 Cg_exo -63.03 -17.51 60.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.261 2.641 . . . . 0.0 113.167 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -103.09 -7.22 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.407 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 45.3 tttp -88.72 -37.82 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.369 175.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' B' ' 2' ' ' ALA . 59.3 m-85 -135.72 140.06 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.775 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 3' ' ' SER . 54.8 m -70.45 95.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.0 110.353 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -80.4 114.9 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 5.9 tp10 -119.47 124.48 46.6 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.6 124.49 63.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.905 0.383 . . . . 0.0 111.312 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -107.67 123.84 63.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.83 119.99 39.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.007 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.9 mt -71.53 -15.0 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -20.95 76.96 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.659 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -83.05 -59.69 2.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.602 ' HB2' ' HG2' ' B' ' 44' ' ' ARG . 56.6 m-20 -124.22 117.63 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.061 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.85 -16.06 62.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.212 0.53 . . . . 0.0 109.96 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.93 65.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.602 ' HG2' ' HB2' ' B' ' 41' ' ' ASP . 42.8 mmt180 -70.81 -13.59 62.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.297 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 73.0 mt -61.01 -51.25 75.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 110.817 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.02 74.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.148 0.499 . . . . 0.0 110.785 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.551 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 48.1 mt-10 -67.15 -42.12 84.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.374 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.25 86.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.672 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 38.7 mt-10 -62.89 -35.98 81.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.643 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -67.64 -30.83 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.097 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 -6.15 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 111.36 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.72 17.89 43.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.116 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 93.6 t -85.92 118.84 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.437 ' O ' HG22 ' B' ' 74' ' ' ILE . 97.2 mttt -101.63 -18.84 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.7 m -144.69 146.16 32.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.631 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.12 -171.49 0.22 Allowed Pre-proline 0 C--O 1.237 0.416 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.631 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.2 Cg_exo 14.53 88.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.33 0 C-N-CA 124.289 3.326 . . . . 0.0 115.561 -136.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.56 155.48 39.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.802 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.4 tt -127.16 128.7 46.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.028 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -103.87 113.11 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -90.75 105.98 16.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 62.29 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.832 0.707 . . . . 0.0 111.21 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.71 10.05 4.28 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.113 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.64 119.08 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.768 0.318 . . . . 0.0 110.406 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.09 117.35 29.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -114.75 107.19 15.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.566 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 63.7 m80 -72.37 116.66 13.07 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.59 HD13 HG11 ' B' ' 22' ' ' VAL . 61.9 mt -100.36 99.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -172.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.31 100.27 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.982 0.802 . . . . 0.0 109.333 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -39.64 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 124.337 1.023 . . . . 0.0 111.892 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.02 -94.79 0.25 Allowed Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.739 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.68 150.25 44.66 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.398 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.423 ' HA3' ' OD1' ' B' ' 76' ' ' ASP . . . -63.85 127.62 36.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.599 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 54' ' ' LYS . 13.4 tt -73.14 -27.18 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.102 0.477 . . . . 0.0 110.511 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 18.0 t70 -80.19 -22.34 42.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.505 0.669 . . . . 0.0 109.463 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.423 ' OD1' ' HA3' ' B' ' 73' ' ' GLY . 4.5 m-20 -72.42 -30.17 64.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.346 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.85 -16.01 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 94.3 mttt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.676 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.291 0.567 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.428 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 68.9 m -84.99 177.65 7.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.681 -174.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -104.83 128.0 52.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -119.62 117.61 28.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.225 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.91 114.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.097 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -100.33 106.48 18.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.665 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -92.78 129.74 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.719 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 27.4 p80 -155.42 173.28 16.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.865 173.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.22 -8.21 13.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.9 -7.25 57.23 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.635 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HG ' ' HG ' ' A' ' 15' ' ' CYS . 23.0 p -65.45 159.3 68.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.143 0.471 . . . . 0.0 110.568 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.99 -41.02 26.21 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.364 2.709 . . . . 0.0 113.422 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.65 -38.44 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 110.779 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 67.2 m -71.65 -39.81 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.71 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.939 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 110.82 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.93 77.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.51 -46.8 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.838 -176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.63 -69.49 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.828 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.83 -48.82 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.497 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.14 -3.44 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 111.581 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -103.4 -27.54 12.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 0.0 109.774 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.13 55.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -73.19 131.73 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.33 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 12.5 t70 -66.37 123.63 85.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.507 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.15 -25.81 81.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.176 2.584 . . . . 0.0 113.516 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.4 m -93.72 -16.23 24.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 110.619 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 88.2 tttt -85.34 -33.67 22.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.999 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 3' ' ' SER . 24.0 m-85 -137.1 125.25 23.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.45 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -74.83 93.52 2.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -92.72 108.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -175.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -106.25 127.88 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.9 mt -96.62 134.37 34.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.0 t -118.52 115.06 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.987 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -92.18 106.29 18.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.821 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.56 -16.02 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.396 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.73 -12.21 83.07 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.546 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.0 m -83.29 -44.94 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HB3' ' HG3' ' A' ' 44' ' ' ARG . 16.6 t0 -139.18 132.04 29.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -77.19 -23.93 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.327 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.46 64.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.908 0.385 . . . . 0.0 110.691 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 9.8 mtp180 -75.05 -17.71 60.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.552 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.2 -38.16 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.122 0.487 . . . . 0.0 109.926 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -63.56 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.131 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 45.4 mt-10 -62.04 -33.05 73.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.717 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.96 -46.62 86.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.32 -34.02 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.953 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 65.1 mttm -64.97 -39.44 93.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.544 178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.09 -19.82 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.284 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.43 24.05 8.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.544 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -85.32 114.55 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -98.2 -22.19 16.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.238 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -146.28 163.02 36.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.28 144.61 36.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.684 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 93.2 Cg_endo -85.91 156.66 57.03 Favored 'Cis proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.195 -1.585 . . . . 0.0 112.991 -0.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -137.5 131.0 31.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.3 tt -103.51 107.5 18.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -89.91 107.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.213 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -103.75 107.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.27 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.14 29.41 16.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.693 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.62 -19.01 37.05 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.67 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.67 111.72 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.456 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.39 107.43 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.056 0.455 . . . . 0.0 111.033 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.98 102.3 14.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.083 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -69.57 129.04 38.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.659 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' B' ' 66' ' ' PHE . 53.2 mt -108.6 97.09 5.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 69.12 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.877 0.736 . . . . 0.0 111.016 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -68.65 95.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.34 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.45 -65.07 1.11 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.648 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.53 137.76 35.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.549 0.214 . . . . 0.0 110.673 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.43 149.41 30.45 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.449 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.43 -28.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.28 0.562 . . . . 0.0 110.391 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.28 -33.28 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.949 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.57 -17.98 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.804 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.88 -23.17 42.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 -178.135 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.95 168.15 11.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -96.86 131.56 43.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.221 0.534 . . . . 0.0 111.583 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' B' ' 33' ' ' VAL . . . -124.8 136.23 53.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.507 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.31 125.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 110.558 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HD2' HG23 ' B' ' 35' ' ' ILE . 77.3 t80 -100.71 117.07 34.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.034 177.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.72 129.22 44.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.812 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.4 p80 -136.72 173.12 12.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.77 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.7 18.55 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.69 64.52 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.09 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 47.5 m -135.54 161.97 59.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 12.6 Cg_endo -57.04 -33.35 95.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.649 2.233 . . . . 0.0 112.152 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.41 -37.68 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 24.7 m -62.97 -50.38 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.644 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.55 -46.07 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -61.81 -48.53 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.935 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.8 78.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.426 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 37.7 tt0 -67.6 -53.71 25.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -77.9 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.82 -63.37 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 111.543 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.29 -46.61 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.578 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.23 -32.23 72.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.685 0.279 . . . . 0.0 110.996 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.29 -24.85 54.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.58 88.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.7 mt -78.64 114.45 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.624 ' HB2' ' HB2' ' B' ' 30' ' ' LYS . 36.5 m-20 -62.91 128.82 92.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.891 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 24.3 Cg_exo -64.37 -19.17 65.23 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.817 2.345 . . . . 0.0 111.701 177.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.53 0.57 57.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.811 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 42.1 tttp -107.56 -48.3 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.46 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.79 157.26 44.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.902 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -96.6 99.67 11.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' B' ' 5' ' ' ALA . 48.6 t -104.83 125.7 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -117.83 144.31 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.918 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.578 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.4 mt -115.11 127.15 72.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.49 130.58 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.285 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -80.81 123.05 27.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.86 7.91 11.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.257 0.551 . . . . 0.0 110.651 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.93 29.96 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.732 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -155.23 -45.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.413 ' OD1' ' HG3' ' B' ' 44' ' ' ARG . 13.9 t70 -85.78 113.27 21.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.967 0.413 . . . . 0.0 110.564 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.7 6.31 42.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.765 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.87 -42.42 10.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 0.0 110.236 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.413 ' HG3' ' OD1' ' B' ' 41' ' ' ASP . 66.4 mtp180 -75.58 -3.93 37.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.016 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.34 -30.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.8 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.742 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.18 -47.52 85.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.206 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.18 -40.13 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.637 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -60.85 -37.45 82.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.294 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.19 -44.63 14.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.447 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.28 29.92 0.82 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.181 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 13.3 t -95.32 135.17 30.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -122.32 -18.06 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.879 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 27.7 m -136.88 144.82 43.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.522 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.632 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 4.3 m -88.63 -163.02 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.003 -0.522 . . . . 0.0 109.697 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.812 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 8.6 Cg_exo 11.41 85.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.345 2.697 . . . . 0.0 114.313 -137.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.58 155.95 40.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.018 -177.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.9 tp -111.31 111.94 23.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.009 0.433 . . . . 0.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -97.95 102.97 14.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -96.66 111.95 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 -177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t70 65.03 8.41 4.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.702 175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.56 -14.51 10.75 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.4 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.01 23.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.32 108.05 15.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.381 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.5 m-85 -100.56 97.87 8.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 109.882 176.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 53.2 m80 -71.21 125.53 27.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.112 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.43 112.15 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.747 0.308 . . . . 0.0 111.155 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 94.1 m-20 61.87 -89.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.444 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 179.77 91.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.864 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.6 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -80.37 -91.23 0.48 Allowed Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.85 -174.93 4.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.879 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -137.65 177.47 19.87 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.942 -1.123 . . . . 0.0 112.421 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.52 -32.47 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.4 -39.24 60.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.128 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.92 -49.82 16.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 0.0 110.713 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.14 -35.12 71.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.932 -173.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 tttm . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 -178.037 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -89.48 -91.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -175.42 141.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.816 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -132.53 107.72 8.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.694 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 26.3 mt -95.48 137.01 24.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -122.38 97.26 5.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.808 0.337 . . . . 0.0 110.743 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.63 125.76 33.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.752 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 15.4 p80 -143.9 -179.2 6.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.476 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 56' ' ' VAL . . . -122.43 10.88 9.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' HA3' ' HE2' ' A' ' 37' ' ' HIS . . . 67.89 65.68 2.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.679 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.8 p -139.48 163.9 42.17 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 4.9 Cg_endo -48.01 -41.16 33.47 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.131 2.554 . . . . 0.0 112.925 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.39 -36.46 69.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.841 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.752 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 60.8 m -69.12 -38.86 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -65.8 -39.0 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -58.45 -49.4 77.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 29.6 tt0 -66.56 -49.52 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.039 179.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -84.44 -4.11 58.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.69 -68.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.823 0.344 . . . . 0.0 111.346 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.4 -52.22 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.19 -0.49 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.19 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -93.36 -32.95 14.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.353 0.597 . . . . 0.0 109.539 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.06 56.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.471 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.2 mt -71.91 95.35 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.529 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.703 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 14.7 t70 -63.85 132.45 95.24 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.907 -176.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.28 -9.36 25.63 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.09 2.527 . . . . 0.0 113.347 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 t -104.15 -5.31 22.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.189 0.519 . . . . 0.0 109.663 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 49.6 tttp -93.26 -41.87 9.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.311 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.06 142.75 30.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.852 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -68.55 99.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.577 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.5 t -80.73 117.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.39 96.5 5.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -84.89 127.28 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.986 0.422 . . . . 0.0 110.796 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.19 117.4 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 63.8 t-80 -84.01 83.03 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.45 -12.17 60.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.49 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.68 95.48 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.018 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 t -109.77 -16.21 13.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.805 0.336 . . . . 0.0 110.699 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' HIS . 0.8 OUTLIER -85.4 43.75 1.04 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 109.561 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.07 -26.45 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.706 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -19.46 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.0 111.407 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 ttp180 -100.68 15.3 28.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.447 0.641 . . . . 0.0 110.445 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.546 HG13 HD11 ' A' ' 74' ' ' ILE . 17.0 tt -58.23 -28.9 36.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.452 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.0 74.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.206 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' OE1' ' HD2' ' A' ' 44' ' ' ARG . 34.1 tt0 -75.58 -36.89 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.007 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -58.55 -40.09 82.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.555 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.85 -37.37 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.166 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.94 -24.35 24.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.288 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.19 -31.63 43.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 28.95 5.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.087 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 59.0 t -87.59 103.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.921 0.391 . . . . 0.0 110.25 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.97 -19.69 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.641 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -149.74 166.51 29.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 10' ' ' ALA . 21.5 m -128.74 147.24 63.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.345 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.1 Cg_endo -77.9 154.0 93.81 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.049 -1.646 . . . . 0.0 112.981 -0.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.62 129.71 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.828 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 tp -101.57 107.17 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.193 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 46.1 t -98.7 99.03 7.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.196 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 63' ' ' GLY . 63.8 mt -94.42 113.99 30.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.416 -178.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.77 -27.53 0.16 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.861 0.864 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 156.76 -14.96 0.35 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.291 -0.481 . . . . 0.0 112.188 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.97 133.75 34.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.582 0.229 . . . . 0.0 110.405 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.32 115.47 27.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 0.0 111.963 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -115.02 105.18 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.584 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.4 m80 -71.94 145.56 48.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.404 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.569 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 48.8 mm -109.21 102.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 63.17 -163.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 110.043 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -135.52 94.04 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.044 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.42 -62.11 1.35 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.174 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 144.12 38.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.64 146.91 18.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.383 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.546 HD11 HG13 ' A' ' 45' ' ' ILE . 14.0 tt -65.49 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.209 0.528 . . . . 0.0 110.032 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.93 -33.74 72.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.192 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.36 -33.56 73.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.79 -22.78 56.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 99.4 mttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.33 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -62.84 155.71 26.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 6' ' ' ILE . 38.8 ttpt -75.18 117.32 16.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.41 . . . . 0.0 111.027 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -108.32 106.98 17.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.6 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.532 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.1 mt -95.87 115.72 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.175 0.512 . . . . 0.0 110.791 -174.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.547 ' HE1' HD12 ' B' ' 68' ' ' ILE . 49.8 t80 -94.69 103.73 15.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.951 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -96.89 113.21 24.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.462 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.46 ' ND1' ' HB3' ' B' ' 15' ' ' CYS . 5.7 p80 -133.78 153.69 51.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.501 ' H ' ' HD3' ' B' ' 57' ' ' PRO . . . -161.35 77.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.364 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' B' ' 12' ' ' CYS . . . -172.54 -105.72 0.19 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.582 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 8.8 m -172.41 -64.41 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 123.039 0.536 . . . . 0.0 111.513 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 23.9 Cg_exo -61.93 -62.84 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.134 1.889 . . . . 0.0 113.22 -169.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -24.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.441 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 35.1 m -66.93 -51.82 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.678 -173.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 66.1 t -59.34 -52.0 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.089 -177.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -64.96 -37.39 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.884 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.565 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -69.57 -40.34 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.544 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 92.9 mt-30 -76.61 -12.69 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 -67.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.708 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.36 -45.75 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.65 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -96.7 -31.94 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.76 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.37 86.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.573 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 1.6 p30 -97.04 163.66 19.53 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.058 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 9.4 Cg_endo -53.25 -14.23 4.03 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.724 2.95 . . . . 0.0 115.197 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 -4.8 56.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.315 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 74.9 mmtt -114.02 -50.56 2.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 177.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 79.5 m-85 -139.82 169.46 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.763 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.8 m -89.18 98.61 11.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.62 116.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.343 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 6.5 mm-40 -115.62 98.09 6.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' B' ' 7' ' ' PHE . 70.0 mt -89.36 121.08 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.414 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.19 120.49 58.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.352 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -81.13 117.54 21.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 10' ' ' ALA . 36.3 tp -85.57 -13.0 50.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.908 -174.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.58 53.14 2.37 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.911 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -149.87 -53.98 0.16 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.036 0.446 . . . . 0.0 110.114 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.69 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 tttp -75.69 -17.78 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.48 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.5 -17.63 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.43 -19.3 65.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.03 -33.18 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.959 -173.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.88 84.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.198 0.523 . . . . 0.0 110.948 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.63 -30.72 57.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.998 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.41 99.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.471 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.0 -39.75 90.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.36 -43.88 84.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.712 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.269 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.54 18.83 10.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.314 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.32 88.87 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.949 0.404 . . . . 0.0 109.919 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.405 ' O ' HG22 ' B' ' 74' ' ' ILE . 86.6 tttt -84.21 -31.62 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.588 0.709 . . . . 0.0 109.873 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.547 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 16.6 m -122.72 138.88 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.062 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' B' ' 72' ' ' ALA . 1.3 t -80.21 -156.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.62 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 7.9 Cg_exo 1.94 89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.973 2.448 . . . . 0.0 115.031 -139.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -144.11 159.97 41.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.6 tt -117.16 114.55 23.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 0.0 110.153 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 37.2 t -93.18 99.51 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.421 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.46 104.59 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.6 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 69.42 -7.95 0.79 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.552 0.741 . . . . 0.0 111.965 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.05 -23.96 2.25 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.94 112.06 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 110.336 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -84.03 109.47 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.309 -178.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.93 112.49 24.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.794 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -73.58 129.67 38.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.542 -177.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.547 HD12 ' HE1' ' B' ' 7' ' ' PHE . 58.4 mt -99.44 98.87 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 62.77 -169.82 0.18 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.147 -170.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -90.63 85.73 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 -81.86 0.12 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.887 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.748 ' HB3' ' HB ' ' B' ' 56' ' ' VAL . . . -139.46 175.74 9.31 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.624 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.78 127.57 8.49 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.232 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.405 HG22 ' O ' ' B' ' 54' ' ' LYS . 14.6 tt -68.65 -31.86 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.386 0.593 . . . . 0.0 110.545 -177.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.547 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 8.1 t70 -75.92 -23.45 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.51 . . . . 0.0 109.727 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.41 -35.13 77.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.613 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.08 6.38 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.735 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 99.7 mttt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.817 0.342 . . . . 0.0 110.334 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.721 0.296 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 32' ' ' THR . 3.0 p -99.66 163.42 12.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.369 . . . . 0.0 111.717 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' A' ' 34' ' ' GLU . 23.2 ttmm -96.15 131.01 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.74 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.63 100.57 4.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.931 HG13 ' HB ' ' A' ' 60' ' ' VAL . 3.6 pt -95.47 125.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.231 0.539 . . . . 0.0 111.312 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' HE1' HD12 ' A' ' 68' ' ' ILE . 76.2 t80 -109.86 110.43 21.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.397 -175.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 6' ' ' ILE . 61.0 m-85 -100.91 140.08 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.648 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 23.6 p80 -162.07 179.23 8.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.707 0.289 . . . . 0.0 110.827 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -121.81 17.57 11.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.84 55.03 4.64 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.307 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.46 154.9 39.59 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -52.95 -40.07 77.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.8 t -61.56 -34.03 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 21.2 m -65.4 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.557 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.52 -44.86 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 m -65.05 -40.24 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.35 77.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.03 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.56 -47.28 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.061 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -79.35 -15.17 58.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.694 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 -68.8 0.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.06 -53.11 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.708 0.289 . . . . 0.0 111.403 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -75.81 3.52 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.061 0.457 . . . . 0.0 111.489 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -110.62 -26.52 9.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.964 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.92 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.586 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.87 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.762 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 10.7 t70 -92.27 132.84 31.16 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 52.9 Cg_exo -55.47 -29.85 70.91 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.128 2.552 . . . . 0.0 113.264 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -67.49 -29.86 69.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -79.58 -73.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.313 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 67.5 m-85 -121.95 139.42 53.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.199 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' SER . 6.5 t -92.3 114.74 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.07 0.462 . . . . 0.0 109.812 175.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' HB1' ' A' ' 23' ' ' ALA . 46.2 t -80.83 105.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 6' ' ' ILE . 38.8 mt-10 -103.31 102.64 12.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.043 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.71 128.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.58 120.2 57.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -85.68 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.844 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -81.52 -6.22 58.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.84 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.48 40.6 2.7 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.617 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.4 -60.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.366 . . . . 0.0 111.195 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -120.18 135.11 55.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 -173.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.33 -27.97 52.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.027 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.95 -36.0 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.908 0.385 . . . . 0.0 110.417 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 43.2 mtp180 -72.75 -11.24 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.402 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 71.1 mt -66.22 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 171.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.24 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 33.0 tt0 -63.18 -43.37 98.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.801 175.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.08 -38.64 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.728 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 40.2 mt-10 -63.22 -37.94 89.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.7 -39.26 87.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -35.35 80.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.892 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.45 7.79 11.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.286 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 69.1 t -65.53 123.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.431 . . . . 0.0 110.641 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -122.46 -12.76 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.68 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.482 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 4.8 p -156.52 169.61 24.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.983 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.55 144.09 45.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.671 0.272 . . . . 0.0 110.668 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -83.97 154.21 67.54 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.013 -1.661 . . . . 0.0 112.915 -1.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -130.4 130.55 44.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.376 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.4 tp -105.3 104.61 14.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.853 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.931 ' HB ' HG13 ' A' ' 6' ' ' ILE . 44.1 t -92.17 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.211 0.529 . . . . 0.0 110.223 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -93.32 114.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.283 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 70.92 -45.01 0.6 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.879 0.737 . . . . 0.0 112.203 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.09 -23.08 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.267 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.57 139.21 30.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.58 0.229 . . . . 0.0 110.421 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -97.63 116.91 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -176.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.55 105.1 13.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.839 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.6 m80 -72.49 143.78 48.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' B' ' 66' ' ' PHE . 58.3 mt -117.74 95.25 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.579 0.228 . . . . 0.0 110.448 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.97 103.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.18 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -63.31 108.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.976 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.37 -55.7 0.8 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.419 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.31 165.16 27.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -103.85 166.28 15.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.752 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.7 tt -67.61 -27.57 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 0.0 110.013 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 5.9 m-20 -64.45 -26.17 68.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.23 -36.58 84.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.559 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 10' ' ' ALA . 89.9 mt -93.61 -22.5 18.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.275 0.56 . . . . 0.0 110.518 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 50.8 tttm . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.731 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -100.65 179.92 4.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.05 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' B' ' 6' ' ' ILE . 22.4 ttmm -112.3 133.32 54.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.321 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.12 100.47 4.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.145 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' B' ' 4' ' ' LYS . 43.7 mt -95.46 136.42 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.566 -175.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' B' ' 68' ' ' ILE . 68.7 t80 -118.52 116.78 27.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -105.75 130.04 53.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.729 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 14.6 p80 -155.7 164.04 39.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.734 175.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.28 13.05 10.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.846 0.355 . . . . 0.0 111.138 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.64 98.37 1.41 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.734 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 p -171.0 155.94 4.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.46 -27.76 41.54 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.093 2.529 . . . . 0.0 113.035 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.61 -50.98 75.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.632 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 18.5 p -77.1 -24.57 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.416 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.54 -54.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.6 m -66.99 -35.1 79.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.9 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.0 tt0 -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.456 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.56 -39.84 95.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.594 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.09 -63.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.02 -43.68 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.754 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -72.47 -10.13 59.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.453 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -105.77 -7.16 18.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -81.78 -38.08 26.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -83.65 134.41 27.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.6 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.92 126.07 66.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.668 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 25.1 Cg_endo -61.92 -17.78 57.51 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.459 2.772 . . . . 0.0 113.532 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -67.5 -25.75 66.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 0.0 110.135 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' B' ' 2' ' ' ALA . 45.7 mtmt -107.29 -34.02 7.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 51.4 m-85 -130.69 127.55 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.3 -0.25 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -86.75 121.68 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.64 104.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.544 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.15 94.48 6.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.005 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.508 HG12 ' HB3' ' B' ' 7' ' ' PHE . 71.8 mt -85.87 121.03 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.44 124.2 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -89.71 108.49 19.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.551 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.449 HD12 HG12 ' B' ' 56' ' ' VAL . 93.6 mt -80.12 -6.28 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.345 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.42 -34.9 15.45 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 95.1 m -74.08 -44.2 54.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.478 . . . . 0.0 110.412 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 11.7 t70 -125.16 104.15 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.64 4.71 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 109.612 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HG2' ' OD1' ' B' ' 41' ' ' ASP . 28.4 mmm180 -65.07 -19.74 66.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 175.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.8 -36.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.336 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -63.28 -37.43 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.411 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.42 -46.18 87.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.108 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.67 -37.58 84.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.652 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.89 -37.72 88.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.057 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 83.4 mttt -59.54 -53.02 62.95 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 110.487 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.84 89.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.25 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.71 34.41 0.86 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.462 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.1 t -79.33 115.88 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.8 -31.37 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.446 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.5 m -146.56 150.88 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.855 0.36 . . . . 0.0 111.444 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' B' ' 57' ' ' PRO . 12.0 m -79.96 -162.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.518 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.271 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.729 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 11.14 86.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 123.68 2.92 . . . . 0.0 114.88 -136.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.2 154.77 42.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 113.782 -1.554 . . . . 0.0 109.608 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' B' ' 68' ' ' ILE . 56.4 tp -113.6 121.53 44.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 0.0 110.618 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 47.2 t -98.96 103.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.034 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -92.74 107.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 66.15 -65.99 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.187 0.929 . . . . 0.0 112.036 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.08 11.31 0.49 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.302 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.1 55.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.777 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.64 119.77 32.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.05 0.452 . . . . 0.0 111.324 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.481 ' HB3' HG23 ' A' ' 68' ' ' ILE . 93.9 m-85 -116.6 103.66 10.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.009 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 74.6 m80 -68.06 123.41 20.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.173 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.578 HD12 ' HE1' ' B' ' 7' ' ' PHE . 54.9 mt -92.4 101.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 61.43 -160.48 0.3 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -170.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.0 98.67 8.34 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -94.65 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.167 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.92 128.9 23.51 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.244 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.6 137.4 46.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.475 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 tt -67.83 -25.51 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 117.261 0.531 . . . . 0.0 110.197 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -36.51 71.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.276 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.39 -27.61 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.744 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.37 -58.37 2.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.192 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.393 -174.313 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -66.83 145.38 55.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.291 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 32' ' ' THR . 21.7 pttp -86.39 120.24 27.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.53 0.681 . . . . 0.0 111.111 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -85.7 114.62 22.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.38 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 6.3 mt -95.2 118.21 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.931 0.396 . . . . 0.0 110.889 -173.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.32 102.56 14.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.739 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -92.26 124.47 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p80 -149.02 170.8 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 175.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.33 18.7 9.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.648 0.261 . . . . 0.0 111.567 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.62 61.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.82 143.07 77.61 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.56 -26.26 21.82 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.907 2.404 . . . . 0.0 112.77 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.39 -38.99 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.526 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.574 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 30.3 p -75.78 -19.31 59.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.507 -172.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.47 -45.02 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 110.129 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -65.42 -44.79 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.64 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.321 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.12 -53.16 49.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.79 1.13 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.47 -67.76 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.3 -51.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.115 -175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.76 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -87.11 -35.96 18.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -35.1 77.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.706 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -81.43 92.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.9 OUTLIER -86.16 165.03 36.13 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.697 -178.359 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 27' ' ' ASP . 11.5 Cg_endo -55.97 -21.98 36.48 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.104 2.536 . . . . 0.0 114.22 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.5 t -80.84 -14.99 57.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.193 0.521 . . . . 0.0 110.139 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' B' ' 25' ' ' ALA . 50.2 tptt -92.29 -59.35 2.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 66.2 m-85 -149.1 164.42 34.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.623 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 28.7 m -78.27 121.3 24.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.11 125.89 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.826 0.346 . . . . 0.0 111.131 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 39.9 tt0 -132.5 114.34 14.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.48 130.63 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.653 0.263 . . . . 0.0 110.622 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.65 128.81 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -93.03 116.59 29.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.634 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.96 -4.82 39.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.538 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.32 38.96 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.92 -173.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -157.89 -64.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.912 0.387 . . . . 0.0 110.478 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -86.43 112.52 21.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.138 0.494 . . . . 0.0 110.718 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' A' ' 45' ' ' ILE . 48.6 mttp -74.91 -22.21 58.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.685 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.75 66.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.226 0.536 . . . . 0.0 110.772 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -84.04 -22.4 31.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.052 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 42' ' ' LYS . 1.8 mp -64.62 -43.11 96.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.113 177.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.199 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -83.63 -36.87 23.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.667 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.01 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.67 -30.36 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.35 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -40.97 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.8 -11.48 60.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.89 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.86 7.54 29.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.553 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -80.51 105.3 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.375 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.67 -18.86 13.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.376 0.608 . . . . 0.0 110.251 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -144.92 167.86 21.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.807 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.35 144.17 48.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.771 0.32 . . . . 0.0 110.36 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 91.5 Cg_endo -82.3 148.1 67.33 Favored 'Cis proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.968 -1.68 . . . . 0.0 113.126 0.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.57 122.4 34.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.153 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.2 tt -105.83 110.96 23.43 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.6 t -83.27 103.16 10.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.238 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.18 104.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.516 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.45 40.13 27.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.047 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.08 -23.29 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.02 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.82 116.89 29.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 110.777 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.61 119.37 23.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 0.0 111.58 -178.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -117.72 114.2 22.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.525 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.9 m80 -76.45 138.33 40.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.508 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' B' ' 66' ' ' PHE . 43.3 mm -116.59 96.74 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.541 -177.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 66.46 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.231 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.91 106.14 1.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.038 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.82 -49.29 0.85 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.75 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.38 158.43 44.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.567 0.222 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.7 145.32 15.94 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 45' ' ' ILE . 12.4 tt -74.07 -22.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.257 0.551 . . . . 0.0 110.3 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 23.4 t70 -76.08 -27.73 57.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.202 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.436 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.38 10.9 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.357 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 93.0 mttt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' B' ' 31' ' ' TYR . 3.7 m -68.45 174.44 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.026 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.516 ' HE3' HD11 ' B' ' 6' ' ' ILE . 58.6 pttt -125.95 157.52 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.38 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -116.45 114.4 24.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.813 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.516 HD11 ' HE3' ' B' ' 4' ' ' LYS . 17.1 mt -96.61 110.47 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.46 ' HD1' ' HB2' ' B' ' 59' ' ' LEU . 79.3 t80 -96.49 113.87 25.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.826 0.345 . . . . 0.0 110.212 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.127 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.7 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -145.21 -178.84 6.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.864 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.36 21.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.25 77.82 1.25 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.059 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 45.5 m -138.47 149.87 64.35 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.47 -37.81 89.79 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.801 2.334 . . . . 0.0 111.792 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.22 -39.12 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.781 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 27.3 m -65.58 -36.73 84.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.07 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 47.3 t -63.33 -55.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.309 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -37.43 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.213 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.52 87.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 111.012 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.1 tt0 -69.22 -34.27 74.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.735 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 68.9 mt-30 -92.27 -2.31 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.632 -176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.55 -67.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.506 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.64 -48.31 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -78.78 7.58 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.876 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -108.2 -32.95 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.616 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -66.74 -37.0 83.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.651 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.0 mt -93.38 86.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.539 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 3.3 p30 -83.82 157.49 63.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.491 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 27.9 Cg_endo -62.23 -5.9 7.35 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.36 2.707 . . . . 0.0 114.138 -174.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -84.1 -14.97 49.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.446 0.641 . . . . 0.0 109.524 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -103.36 -58.43 1.88 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.584 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 95.8 m-85 -140.49 155.96 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.788 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.6 p -90.6 129.51 36.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.805 0.335 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.77 126.68 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.787 0.327 . . . . 0.0 110.976 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -119.91 120.35 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.83 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.444 HD13 ' HB3' ' B' ' 7' ' ' PHE . 34.8 mm -96.16 125.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.152 -178.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.86 125.31 70.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 111.254 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -92.89 107.66 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.635 HD12 HG12 ' B' ' 56' ' ' VAL . 55.5 mt -72.66 -15.73 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.621 -175.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.48 7.22 61.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.785 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -107.96 -19.82 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 111.222 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -147.48 129.61 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.063 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' B' ' 45' ' ' ILE . 60.8 mttp -82.01 -31.83 30.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.328 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 110.904 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.985 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' B' ' 42' ' ' LYS . 80.5 mt -63.22 -50.68 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.0 -34.4 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.411 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.45 -38.47 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -63.48 -40.89 98.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HG2' HD13 ' B' ' 74' ' ' ILE . 39.1 mt-10 -63.96 -30.65 71.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 95.7 mttt -63.03 -45.15 93.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.066 0.46 . . . . 0.0 110.225 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.19 -20.89 60.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.731 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 10.05 12.87 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 47.0 t -84.0 111.37 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -110.33 -3.2 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.318 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 47.8 m -144.21 149.32 36.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.867 0.365 . . . . 0.0 111.385 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.635 HG12 HD12 ' B' ' 38' ' ' LEU . 8.4 m -85.3 -168.55 0.19 Allowed Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.65 ' HG3' ' SG ' ' B' ' 15' ' ' CYS . 6.3 Cg_exo 12.4 85.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 123.375 2.717 . . . . 0.0 114.577 -135.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -147.39 157.29 43.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.795 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' B' ' 5' ' ' ALA . 10.1 tt -133.9 129.51 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.059 0.457 . . . . 0.0 110.614 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 5' ' ' ALA . 63.4 t -101.24 113.63 37.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.788 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -90.94 111.97 24.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.84 -69.18 0.17 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.856 0.722 . . . . 0.0 110.93 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.95 16.05 0.24 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.928 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.99 125.58 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 110.246 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.21 120.29 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.591 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.435 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.4 m-85 -119.84 103.31 9.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.014 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.9 m80 -71.31 125.4 26.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.851 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.5 107.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.4 m-20 62.99 -161.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.206 -173.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -109.2 94.2 4.91 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.4 -97.03 0.2 Allowed Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.82 164.28 30.37 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.202 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' ASP . . . -75.27 151.74 42.4 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.804 -1.188 . . . . 0.0 110.386 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' B' ' 49' ' ' GLU . 17.2 tt -70.08 -19.3 22.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 117.58 0.69 . . . . 0.0 109.917 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.22 -14.47 58.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 73' ' ' GLY . 2.4 m-20 -64.04 -33.94 76.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.144 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.441 HD11 HG11 ' B' ' 56' ' ' VAL . 69.2 mt -70.59 -27.59 64.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.545 -177.353 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 23.2 t -79.28 148.65 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.448 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HE3' HD11 ' A' ' 6' ' ' ILE . 62.8 tttp -76.01 114.24 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.608 -178.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.71 107.23 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.866 0.365 . . . . 0.0 110.765 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.582 HD11 ' HE3' ' A' ' 4' ' ' LYS . 51.3 mt -95.1 125.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 110.698 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -99.9 100.52 11.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 57' ' ' PRO . 72.9 m-85 -88.9 128.41 35.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.851 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 p80 -148.51 156.84 42.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . . . -142.07 13.29 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.87 -109.87 1.46 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.004 -1.093 . . . . 0.0 111.499 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.4 t -174.46 -64.11 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.057 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 10.2 Cg_endo -50.27 -72.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.677 2.251 . . . . 0.0 113.604 -171.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.99 -22.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.317 0.58 . . . . 0.0 110.997 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 56.2 m -69.97 -47.23 63.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.898 -177.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 12' ' ' CYS . 90.6 t -66.07 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.627 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 m -56.3 -45.56 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.0 110.27 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.55 58.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 25.9 tt0 -64.67 -43.79 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.015 0.436 . . . . 0.0 110.83 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.05 -30.31 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.787 -177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 -66.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.49 -47.29 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.663 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.32 -16.11 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -102.2 -14.9 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.685 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.09 -31.55 56.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.197 0.523 . . . . 0.0 109.833 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -87.68 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.472 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 14.5 t70 -86.09 130.77 48.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 22.9 Cg_exo -66.02 -12.67 36.39 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.062 2.508 . . . . 0.0 113.413 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -101.31 -1.2 34.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.405 0.621 . . . . 0.0 110.147 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 51.3 tttp -100.24 -42.55 6.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.601 174.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.712 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 54.4 m-85 -136.04 138.73 42.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.395 175.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -83.05 93.95 7.69 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.94 112.9 19.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.18 110.65 22.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.288 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.13 116.3 29.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.71 0.29 . . . . 0.0 110.572 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.09 124.28 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.93 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 9' ' ' HIS . 38.7 t-80 -98.51 109.76 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.163 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 91.6 mt -73.37 -11.36 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.45 -19.77 65.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.871 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -94.74 -35.2 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.024 0.44 . . . . 0.0 110.726 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.0 119.04 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.356 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -83.29 -17.46 42.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.499 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -34.23 43.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 0.0 110.378 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -63.97 -21.03 66.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.052 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.51 -40.91 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.062 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -68.56 -38.18 80.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.03 -47.83 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.088 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.85 -40.41 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.248 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.6 -45.13 95.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 98.0 mttt -65.52 -32.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.707 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.88 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.67 15.75 7.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.919 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 53.9 t -75.95 117.13 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.218 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -97.01 -33.47 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.349 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.0 m -145.89 166.78 24.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 111.08 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.851 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 29.6 m -130.53 152.18 79.93 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.962 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 74.4 Cg_endo -76.53 149.27 90.84 Favored 'Cis proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.099 -1.626 . . . . 0.0 112.697 1.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.08 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 tp -99.16 103.14 15.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.824 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.86 99.47 9.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.67 105.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.51 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.34 29.04 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.456 0.646 . . . . 0.0 111.315 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.78 -24.01 20.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.69 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.23 111.79 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.845 0.355 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.32 112.39 20.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.36 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.31 100.42 9.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.988 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -67.97 131.78 46.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.099 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' B' ' 66' ' ' PHE . 57.7 mt -108.08 100.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 62.24 -164.85 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.039 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -128.04 110.73 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.99 -64.16 0.57 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.449 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 151.18 46.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -108.28 152.89 16.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.716 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.72 -24.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.426 0.631 . . . . 0.0 109.91 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.46 -24.45 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.376 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -85.14 -32.73 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.67 -20.45 64.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.631 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.954 0.407 . . . . 0.0 111.398 -178.263 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.433 ' HB3' ' OD1' ' B' ' 62' ' ' ASP . 25.4 m -71.11 157.82 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.678 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -107.69 149.74 27.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.721 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -122.9 117.39 25.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.485 177.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.844 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.5 pt -99.55 119.14 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 111.288 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' B' ' 35' ' ' ILE . 81.3 t80 -100.78 119.53 38.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.83 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.52 128.74 52.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.293 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -158.4 165.87 33.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.754 173.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.63 23.26 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.21 73.74 1.27 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.664 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.437 ' O ' HG23 ' B' ' 16' ' ' VAL . 58.4 m -127.01 148.55 66.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.85 -18.49 64.91 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.339 2.026 . . . . 0.0 112.093 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.44 -43.48 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.255 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.723 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 17.0 p -76.58 -20.33 56.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.699 -173.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 12' ' ' CYS . 97.1 t -56.47 -48.58 79.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.027 0.442 . . . . 0.0 110.364 177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.8 m -63.69 -41.48 98.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.658 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.28 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.104 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.9 tt0 -67.72 -29.79 69.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -93.9 -23.86 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 -60.97 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.03 -39.81 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.721 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -80.83 9.57 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.71 -21.42 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 169.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.712 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.8 -45.42 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -101.26 97.56 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 8.1 p-10 -79.45 144.86 62.39 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -175.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 42.6 Cg_exo -58.69 -17.79 37.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.369 2.713 . . . . 0.0 113.341 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 -10.58 50.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.016 0.436 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -99.9 -47.92 4.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 96.1 m-85 -135.59 143.06 45.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.594 173.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -71.46 96.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.995 0.426 . . . . 0.0 111.07 -175.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.72 122.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.923 0.392 . . . . 0.0 110.544 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -121.44 119.85 33.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.173 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' B' ' 7' ' ' PHE . 48.2 mm -89.32 127.58 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.516 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.564 HG13 ' HD3' ' B' ' 44' ' ' ARG . 38.6 t -114.06 104.07 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.287 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -90.58 108.67 19.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.04 -15.98 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.178 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.91 -19.15 73.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.379 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -82.01 -43.82 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.222 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.797 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 62.1 m-20 -133.1 119.83 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.09 -17.4 64.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 109.883 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.3 73.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.48 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 79.7 mtt-85 -71.78 -20.74 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.623 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.7 -38.75 90.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.375 177.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 33.1 mt-10 -62.56 -36.45 82.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.77 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.07 -46.25 90.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.58 -34.67 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 92.1 mttt -61.49 -36.6 80.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.653 177.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 -23.32 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.43 10.9 24.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.469 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 46.7 t -69.62 120.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -105.0 -15.77 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.9 m -145.09 147.77 32.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.651 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.45 -175.01 0.4 Allowed Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.723 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 2.5 Cg_exo 13.82 89.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.467 3.444 . . . . 0.0 115.675 -136.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.404 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -146.05 152.97 40.19 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.244 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 ' HB1' ' B' ' 5' ' ' ALA . 7.2 tt -125.08 126.92 46.11 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.844 ' HB ' HG13 ' B' ' 6' ' ' ILE . 53.5 t -109.07 116.55 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.075 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' B' ' 63' ' ' GLY . 61.0 mt -96.12 107.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.277 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 3' ' ' SER . 7.7 m-20 68.49 -32.5 0.21 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.506 0.722 . . . . 0.0 112.901 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 166.69 -18.78 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 -175.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.39 121.59 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.73 -0.277 . . . . 0.0 110.257 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.5 121.96 31.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 111.71 -176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 68' ' ' ILE . 89.9 m-85 -120.48 103.75 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.909 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -66.53 123.45 20.06 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.404 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 50.7 mm -105.25 98.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 61.1 96.83 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.953 0.783 . . . . 0.0 109.392 -170.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -41.97 105.53 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.159 0.912 . . . . 0.0 111.755 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.24 -93.87 0.4 Allowed Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.688 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 154.93 47.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.66 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.3 123.27 11.91 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.104 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -69.06 -27.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.068 0.461 . . . . 0.0 110.898 -175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.66 -24.82 58.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.62 -24.64 65.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.0 mt -73.53 -3.49 28.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.98 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.199 177.055 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -69.99 134.38 48.27 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 6' ' ' ILE . 59.1 pttt -96.9 147.49 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.63 0.729 . . . . 0.0 112.04 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 61' ' ' ILE . . . -113.99 120.66 41.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.891 173.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HE3' ' A' ' 4' ' ' LYS . 16.1 mt -94.98 114.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.915 0.388 . . . . 0.0 110.304 -175.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 68' ' ' ILE . 44.5 t80 -96.87 100.02 11.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.104 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.68 124.69 34.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.47 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 22.4 p80 -150.24 -179.55 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.844 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.67 18.86 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.94 54.94 18.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.758 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -124.08 151.74 65.93 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -44.03 -44.48 12.22 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.437 2.758 . . . . 0.0 113.624 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.7 -49.14 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.549 0.214 . . . . 0.0 111.537 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 29.2 p -75.48 -30.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.044 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.65 -37.4 77.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.309 175.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -67.05 -40.39 87.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.394 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.91 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 40.1 tt0 -62.92 -33.1 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.608 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -83.92 -39.03 20.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.182 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.0 -70.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.57 -41.39 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.755 0.312 . . . . 0.0 111.305 -173.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -76.98 4.82 9.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.614 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -117.08 -24.54 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.97 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.0 112.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.14 118.88 43.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 24.5 Cg_exo -64.43 -12.81 35.01 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.26 2.64 . . . . 0.0 112.947 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -100.72 4.43 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.156 0.503 . . . . 0.0 110.015 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -117.87 -35.41 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 60.7 m-85 -133.26 135.14 44.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.035 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.2 m -74.25 104.19 4.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.074 0.464 . . . . 0.0 110.937 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.3 110.25 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.156 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 36.9 tt0 -113.02 112.63 24.2 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.43 130.05 47.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -175.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -130.09 130.78 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.681 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.91 120.3 23.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 38' ' ' LEU . 2.3 tm? -91.57 -23.24 19.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.65 0.69 88.21 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.611 -172.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -101.03 -37.86 8.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.226 0.513 . . . . 0.0 111.673 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.52 132.83 55.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.935 0.398 . . . . 0.0 111.577 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.22 -4.39 58.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.784 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -35.86 41.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.002 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -72.78 -16.02 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 177.014 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 74' ' ' ILE . 52.8 mt -63.07 -38.56 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 109.959 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.99 78.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' OE2' ' HG3' ' A' ' 44' ' ' ARG . 41.4 mt-10 -67.73 -36.56 80.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 175.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.17 -44.5 96.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.789 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.18 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -75.32 -29.59 60.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.999 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.18 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.32 29.88 3.55 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.539 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 87.7 t -83.51 126.0 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.775 0.322 . . . . 0.0 110.305 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 74' ' ' ILE . 98.4 mttt -105.77 -37.51 6.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 26.0 p -151.32 157.51 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.142 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 35.0 m -98.57 147.98 33.9 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 1.2 Cg_endo -80.2 133.05 25.84 Favored 'Cis proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.95 -1.271 . . . . 0.0 112.733 3.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.06 31.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.589 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.87 100.58 12.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.725 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.25 97.67 7.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 63' ' ' GLY . 55.1 mt -90.86 106.04 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 71.31 -32.4 0.25 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.821 0.7 . . . . 0.0 112.07 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.34 -20.72 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.03 118.77 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 110.253 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.2 123.39 33.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.36 112.21 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.948 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 55' ' ' SER . 72.5 m80 -82.15 121.2 26.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.562 -177.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD12 ' HE1' ' A' ' 7' ' ' PHE . 48.8 mt -94.4 96.51 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 63.11 -165.37 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -120.21 112.29 18.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.41 -77.55 1.24 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.414 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 132.11 29.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -88.62 145.09 18.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.324 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 45' ' ' ILE . 14.6 tt -66.91 -29.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.03 -40.79 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.517 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.57 -18.74 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -74.29 -26.85 60.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.719 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.691 179.531 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -67.02 142.98 57.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -97.63 145.88 25.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.489 0.661 . . . . 0.0 111.762 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -120.21 116.61 25.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.179 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 35.9 mt -101.86 114.2 40.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -173.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -96.52 122.09 39.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -106.54 133.05 51.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.503 ' HA ' ' HB ' ' B' ' 56' ' ' VAL . 8.0 p80 -154.25 -179.43 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.394 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 25.27 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.666 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.89 59.95 5.22 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.978 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.513 ' O ' HG23 ' B' ' 16' ' ' VAL . 20.0 m -117.17 148.27 42.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -52.29 -35.52 64.41 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.581 2.187 . . . . 0.0 112.157 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.41 -46.97 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.478 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.908 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 25.7 p -77.92 -18.37 56.2 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.469 -175.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 12' ' ' CYS . 95.9 t -60.36 -53.76 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 109.752 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.4 m -64.02 -41.93 97.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.47 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.26 96.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.275 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -63.09 -50.77 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -76.07 -4.67 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.07 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 -66.13 1.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.89 -50.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 -175.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.68 -0.68 27.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.051 0.453 . . . . 0.0 110.926 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -93.49 -37.81 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.36 70.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.461 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.97 94.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' B' ' 29' ' ' SER . 4.6 p-10 -91.59 156.33 43.16 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.818 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 32.6 Cg_exo -60.08 -16.98 42.66 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.49 2.793 . . . . 0.0 114.305 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' B' ' 27' ' ' ASP . 51.0 m -79.72 -10.78 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 110.435 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -107.32 -51.82 2.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 58.4 m-85 -137.37 138.1 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.745 176.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 22.9 m -73.94 107.82 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.887 0.375 . . . . 0.0 110.478 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.67 124.33 38.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.032 0.444 . . . . 0.0 111.275 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 13.5 tp10 -117.9 111.14 18.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.64 122.79 54.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 52.9 t -119.58 125.15 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.216 0.531 . . . . 0.0 111.176 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -89.81 113.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' B' ' 56' ' ' VAL . 68.7 mt -84.63 -5.99 59.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.821 0.343 . . . . 0.0 111.601 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.44 49.3 2.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.797 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -153.29 -45.77 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.42 126.61 46.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.42 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -72.82 -19.62 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.209 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -68.42 -32.2 72.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 110.049 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.483 ' HD3' ' OE2' ' B' ' 47' ' ' GLU . 69.2 mmt-85 -68.54 -32.87 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.223 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.434 HG23 HD11 ' B' ' 74' ' ' ILE . 73.4 mt -62.48 -41.48 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.121 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.41 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.608 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.483 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 42.7 mt-10 -66.72 -32.18 73.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -62.3 -55.97 22.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.98 -29.78 71.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -63.82 -37.15 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.137 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.56 26.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.79 5.66 10.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.898 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 22.6 t -80.11 98.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.82 -5.19 35.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.54 ' HB3' ' CD2' ' B' ' 67' ' ' HIS . 37.9 t -147.52 144.5 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 6.9 m -76.52 -168.21 0.14 Allowed Pre-proline 0 C--O 1.238 0.494 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.908 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 5.8 Cg_exo 15.22 85.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 123.713 2.942 . . . . 0.0 114.8 -136.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.29 156.32 41.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.504 177.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.7 tt -128.79 126.03 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.034 0.445 . . . . 0.0 110.305 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 54.0 t -97.3 119.05 44.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.76 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -102.1 108.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.71 -48.89 0.66 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.896 0.748 . . . . 0.0 111.799 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.12 -27.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.097 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.63 126.03 33.6 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.805 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.371 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -118.12 116.8 27.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.809 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' B' ' 55' ' ' SER . 70.4 m80 -75.09 125.04 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -112.49 100.57 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 61.89 99.18 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.5 -170.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -44.92 105.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.008 0.818 . . . . 0.0 111.44 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.423 ' HA3' ' HG2' ' B' ' 57' ' ' PRO . . . -80.39 -90.81 0.49 Allowed Glycine 0 N--CA 1.437 -1.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.811 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.55 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.69 133.04 30.02 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.826 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.26 142.08 36.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.886 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.434 HD11 HG23 ' B' ' 45' ' ' ILE . 10.8 tp -60.36 -28.88 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 111.248 -176.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.35 -21.4 53.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.759 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.71 -28.63 63.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.447 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.78 -25.38 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.687 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 87.7 mttt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.647 179.056 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.649 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.2 m -76.32 147.36 38.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.719 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.38 115.26 18.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.082 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.33 110.67 14.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.494 HG12 ' OE1' ' A' ' 34' ' ' GLU . 4.5 mt -96.56 128.67 47.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.887 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -107.49 99.1 8.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' HD21 ' A' ' 38' ' ' LEU . 69.2 m-85 -90.16 123.67 34.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 18.8 p80 -141.79 171.93 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.294 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.35 15.63 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.63 19.68 78.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.734 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 m -78.91 149.17 73.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.68 -27.63 62.01 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 112.348 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.14 -31.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 42.4 m -72.71 -27.92 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.85 -50.59 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.297 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -59.01 -41.42 87.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.361 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.9 tt0 -67.0 -42.52 84.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.62 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -58.95 -56.79 17.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.874 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.28 -58.36 2.4 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -174.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.24 -49.0 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.657 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.16 -14.26 62.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -105.88 1.12 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.62 -29.27 15.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.621 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 25' ' ' ALA . 78.5 mt -66.02 120.84 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.6 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.09 126.13 75.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.126 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.98 -19.67 33.4 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.477 2.785 . . . . 0.0 113.495 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.9 p -72.68 -11.64 60.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.671 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' B' ' 27' ' ' ASP . 63.1 mttm -109.36 -51.98 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' SER . 71.5 m-85 -131.63 149.62 52.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.274 -174.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 m -99.22 109.71 22.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.5 t -84.33 104.48 12.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.945 0.402 . . . . 0.0 110.804 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 6' ' ' ILE . 39.7 mt-10 -88.48 106.65 18.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.365 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mm -78.91 108.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.69 115.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.434 . . . . 0.0 111.436 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -88.39 117.12 27.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.803 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 8' ' ' TYR . 72.4 mt -77.73 -24.21 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 112.02 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.85 39.01 2.17 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.093 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -133.36 -42.03 0.87 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -133.82 129.5 36.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 59.9 mttp -88.95 0.42 56.65 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.77 -31.89 25.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -71.52 -8.93 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.488 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 42' ' ' LYS . 48.6 mm -61.7 -45.54 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.65 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.01 -47.5 86.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.111 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.2 91.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.73 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.74 -42.93 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -69.33 -27.58 65.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.253 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.05 59.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 0.0 111.1 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.17 10.31 39.68 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.59 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.91 114.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.71 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -99.26 -25.22 14.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.818 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -155.11 168.19 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.1 m -117.13 146.37 37.93 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.585 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 79.5 Cg_endo -83.56 146.55 54.71 Favored 'Cis proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.908 -0.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.55 129.68 49.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 26' ' ' ILE . 60.4 tp -102.77 102.98 13.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.158 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.1 t -85.81 97.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 0.0 109.87 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.65 100.72 11.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.829 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 62.04 16.39 8.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.416 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.42 -21.69 6.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.748 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.93 123.84 38.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.747 0.273 . . . . 0.0 110.581 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.18 24.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.02 0.438 . . . . 0.0 111.445 -175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.415 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.8 m-85 -115.91 104.75 11.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.324 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.2 m80 -71.45 146.53 48.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.689 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -132.2 105.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 123.296 0.373 . . . . 0.0 110.106 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 66.16 106.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.08 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.95 100.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.03 -66.6 0.99 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.845 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.41 142.1 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.51 153.81 30.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.204 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.04 -26.04 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.69 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.721 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.17 -31.15 65.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.918 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.47 -35.55 53.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.0 110.555 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.356 -179.774 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 121.204 0.526 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -63.57 166.96 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.244 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' B' ' 32' ' ' THR . 2.3 pttp -87.07 121.97 30.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.462 0.649 . . . . 0.0 111.202 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.45 119.62 34.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.204 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.52 114.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.0 0.429 . . . . 0.0 111.278 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' B' ' 35' ' ' ILE . 53.4 t80 -94.56 98.09 10.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.42 ' CD2' HG21 ' B' ' 53' ' ' VAL . 57.1 m-85 -85.21 118.12 24.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.736 0.303 . . . . 0.0 110.23 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -135.27 -175.88 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.546 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.96 22.6 2.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.9 61.81 2.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.223 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 35.9 m -129.49 156.46 78.57 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.72 -33.57 96.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.617 2.212 . . . . 0.0 111.627 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.21 -39.88 53.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.658 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.775 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 4.5 m -71.12 -30.28 66.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.667 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLN . 41.2 t -72.5 -48.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -64.71 -39.57 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.79 75.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 35.3 tt0 -65.87 -42.83 89.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' B' ' 16' ' ' VAL . 47.6 mm-40 -79.32 -16.75 55.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.722 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 -64.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.821 0.343 . . . . 0.0 111.802 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.18 -48.82 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.26 -11.79 60.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -83.79 -36.19 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.127 0.489 . . . . 0.0 109.88 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' A' ' 26' ' ' ILE . . . -67.84 -36.66 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.859 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -88.96 106.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.635 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.616 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 11.6 t70 -65.46 134.49 95.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.056 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.09 -20.35 71.05 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.971 2.447 . . . . 0.0 112.931 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t -92.35 -15.65 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 51.7 tttp -82.54 -47.7 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.227 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -139.35 147.88 42.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 174.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' B' ' 4' ' ' LYS . 10.8 m -83.72 93.9 8.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.57 123.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.269 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.54 123.33 43.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.662 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' B' ' 7' ' ' PHE . 42.2 mt -99.12 118.14 45.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.993 0.425 . . . . 0.0 110.735 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.531 HG13 ' HD3' ' B' ' 44' ' ' ARG . 92.3 t -112.92 125.02 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.885 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -90.14 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.309 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.637 HD12 HG12 ' B' ' 56' ' ' VAL . 68.7 mt -86.36 -14.5 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 111.305 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.39 -10.16 81.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.332 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -106.11 -60.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.831 0.348 . . . . 0.0 111.319 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.65 135.35 37.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.234 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -88.19 -21.54 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.753 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.06 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.531 ' HD3' HG13 ' B' ' 36' ' ' VAL . 69.7 mtt85 -65.5 -27.0 68.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.971 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.521 . . . . 0.0 109.611 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.23 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.862 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.68 -38.12 80.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.008 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.56 -39.89 92.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.099 0.476 . . . . 0.0 110.713 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.81 -32.1 46.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.29 78.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.577 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.69 39.45 0.71 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.437 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 36.4 t -109.75 122.43 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.514 0.197 . . . . 0.0 110.518 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -101.27 -18.36 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.0 111.238 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.742 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 24.8 m -139.67 141.99 36.96 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.154 -177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.637 HG12 HD12 ' B' ' 38' ' ' LEU . 12.1 m -82.88 -173.35 0.43 Allowed Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.064 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.767 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.45 88.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.437 0 C-N-CA 124.196 3.264 . . . . 0.0 115.437 -136.477 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.707 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -145.0 162.39 37.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 113.247 -1.797 . . . . 0.0 109.575 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.29 117.11 24.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 0.0 110.741 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 44.9 t -96.57 101.18 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.89 116.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.98 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 64.22 12.39 7.08 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.595 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.51 -21.86 9.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.542 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.85 126.67 37.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 110.53 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.41 117.45 27.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.95 0.405 . . . . 0.0 111.487 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -112.97 110.15 20.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.8 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 60.3 m80 -73.14 134.6 44.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.707 HG13 ' HA ' ' B' ' 58' ' ' ALA . 4.3 mt -92.97 -171.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.662 ' H ' HG22 ' B' ' 68' ' ' ILE . 76.2 m-20 -27.02 111.27 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.552 0.533 . . . . 0.0 110.254 166.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -48.11 101.59 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.319 1.012 . . . . 0.0 112.009 -167.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.19 -87.62 0.5 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.93 -176.27 4.52 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.684 176.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.742 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -109.95 162.27 12.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.141 174.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 tt -72.22 -24.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.4 -28.58 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.559 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.48 -47.43 67.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.031 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.56 -27.85 41.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.329 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.015 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.271 0.557 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -99.55 170.2 8.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.265 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 6' ' ' ILE . 51.2 tptt -72.26 114.66 10.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.88 109.08 11.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.207 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HE3' ' A' ' 4' ' ' LYS . 28.8 mm -97.43 132.15 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.899 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.574 ' HB3' HG12 ' A' ' 35' ' ' ILE . 57.9 t80 -111.77 102.47 10.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.401 ' CD2' HG21 ' A' ' 53' ' ' VAL . 53.3 m-85 -86.67 131.34 34.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.657 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 5.3 p80 -153.68 165.85 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.9 9.75 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.83 33.73 50.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.378 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 158.59 35.94 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.11 -40.65 68.1 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.667 2.244 . . . . 0.0 112.087 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.36 -36.37 72.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.564 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 60.5 m -67.42 -38.91 85.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.76 -45.62 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.286 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 m -61.51 -45.24 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.799 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.89 92.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.43 -59.63 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -69.01 -12.93 62.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -171.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.5 -63.67 1.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.95 -55.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.615 0.245 . . . . 0.0 111.569 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.59 74.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 111.194 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -73.86 -30.95 62.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.693 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.92 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.346 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.43 118.91 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.227 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 5.2 m-20 -69.33 128.07 92.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 15.0 Cg_exo -69.82 -3.5 12.18 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 111.061 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 t -95.52 -6.74 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.34 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -108.69 -50.82 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.747 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -123.59 156.54 35.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.779 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 m -89.72 91.8 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.024 0.44 . . . . 0.0 110.229 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.54 110.26 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HB3' HD13 ' A' ' 6' ' ' ILE . 35.4 tt0 -111.78 107.15 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.537 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 7' ' ' PHE . 66.9 mt -88.74 125.5 41.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.043 -175.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.34 122.39 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -86.88 116.56 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.617 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.52 -5.74 55.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.606 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.07 47.5 3.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.2 m -157.48 -55.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.068 0.461 . . . . 0.0 110.759 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -104.29 131.68 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.639 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.82 -15.02 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.686 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.34 74.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.256 0.551 . . . . 0.0 109.927 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -72.96 -11.04 60.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.838 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.57 -40.55 86.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.12 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.073 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.03 -46.52 87.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.364 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.61 -40.51 92.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.895 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' HE3' ' A' ' 78' ' ' LYS . 39.1 tt0 -64.63 -37.49 87.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.08 -36.45 83.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.583 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.46 -42.44 43.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.573 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.61 21.59 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.43 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 57.9 t -82.99 134.54 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.479 0.18 . . . . 0.0 110.52 -178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 74' ' ' ILE . 95.6 mttt -111.48 -34.11 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.723 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.473 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 15.6 m -135.15 161.1 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.896 0.379 . . . . 0.0 110.984 -174.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.4 m -124.45 145.75 50.02 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.826 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 6.2 Cg_exo -78.03 153.66 93.12 Favored 'Cis proline' 0 CA--C 1.528 0.177 0 C-N-CA 123.755 -1.352 . . . . 0.0 112.859 2.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -138.32 133.72 33.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.415 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -106.32 108.08 19.41 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 43.7 t -89.1 102.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.338 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -97.44 106.54 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.339 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 62.98 17.13 9.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.423 0.63 . . . . 0.0 111.273 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.88 -17.19 17.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.314 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.32 114.25 26.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.755 0.312 . . . . 0.0 110.172 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -84.98 112.41 20.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 111.656 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.22 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.079 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.543 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 69.0 m80 -71.61 139.01 49.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.395 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.515 ' O ' ' HD2' ' A' ' 57' ' ' PRO . 52.7 mt -113.34 92.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.891 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 65.23 -173.76 0.18 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.841 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -127.57 104.59 7.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.88 -56.14 1.17 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 173.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 157.0 46.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.7 135.08 12.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.66 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 54' ' ' LYS . 11.4 tt -66.07 -34.72 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.44 -30.2 69.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.97 -35.09 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.358 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.39 -24.71 24.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.392 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HE3' ' OE2' ' A' ' 49' ' ' GLU . 59.2 tttm . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.046 0.451 . . . . 0.0 111.101 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.637 0.256 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.521 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 56.3 p -101.79 -168.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' B' ' 6' ' ' ILE . 73.1 tttt -99.94 120.27 39.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.094 0.473 . . . . 0.0 110.891 -177.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -115.96 121.21 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.664 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.737 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 32.8 mm -95.28 141.06 15.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.664 -176.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.61 ' HD2' HG23 ' B' ' 35' ' ' ILE . 71.0 t80 -126.58 106.74 9.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 59.4 m-85 -92.83 129.27 38.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.876 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.733 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 33.3 p-80 -134.49 159.85 39.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.76 0.314 . . . . 0.0 110.552 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' B' ' 12' ' ' CYS . . . -117.03 9.18 13.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.186 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.46 58.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.178 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 34.7 m -94.45 163.83 21.77 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 13.2 Cg_endo -57.19 -30.75 88.39 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.557 2.171 . . . . 0.0 111.737 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.91 -34.67 63.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.691 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.793 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 34.0 m -67.09 -43.27 82.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 43.9 t -56.44 -54.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.168 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.8 m -63.99 -34.78 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.18 94.71 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.502 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.8 mt-10 -63.22 -50.26 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 96.6 mt-30 -59.54 -33.8 71.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.37 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.58 -68.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -65.86 -48.0 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.63 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.19 -10.83 60.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.637 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -97.93 -25.48 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.843 0.354 . . . . 0.0 110.361 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.32 -33.48 71.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.14 108.73 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.154 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.27 133.9 87.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.851 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.66 -27.52 85.14 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.02 -18.65 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.048 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' B' ' 31' ' ' TYR . 63.9 tttp -91.73 -41.35 10.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.285 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.521 ' HD1' ' H ' ' B' ' 3' ' ' SER . 70.5 m-85 -142.4 143.94 32.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.665 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -76.64 94.1 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.009 0.433 . . . . 0.0 110.071 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 47.2 t -87.58 111.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.706 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.27 108.3 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.57 122.62 47.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.222 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.98 132.48 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -79.89 122.62 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 109.996 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 40.4 tp -124.54 18.45 8.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.471 0.653 . . . . 0.0 109.995 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.35 1.92 70.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.973 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -142.64 -22.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.49 116.74 27.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -89.36 -10.65 45.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.848 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.45 58.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.06 -4.84 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.059 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.61 -43.88 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.195 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -66.64 -37.51 84.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.68 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -48.37 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.52 -39.79 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.02 -38.73 87.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.636 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 62.5 mttm -76.6 -15.02 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.17 -4.54 48.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.03 10.4 62.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.689 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 32.4 t -87.48 112.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -109.53 -4.71 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.533 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.689 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 49.6 m -150.05 154.41 38.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.815 ' HB ' ' HD2' ' B' ' 57' ' ' PRO . 0.2 OUTLIER -87.66 -162.95 0.04 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.51 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.815 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 19.9 Cg_exo 5.3 87.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.743 2.962 . . . . 0.0 114.652 -142.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -148.68 153.97 39.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.684 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.77 111.26 23.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.022 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 24.4 t -101.48 96.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -90.83 111.21 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.339 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 55.86 31.62 18.08 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.078 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.21 -14.1 59.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.028 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 111.84 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.858 0.361 . . . . 0.0 110.125 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.88 110.82 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 111.583 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 68' ' ' ILE . 95.0 m-85 -107.52 97.41 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.689 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -71.87 129.69 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mm -93.0 110.95 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 93.2 m-20 64.49 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.7 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -178.16 88.13 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -76.89 -84.55 0.46 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.177 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.77 154.22 47.34 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.963 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.41 143.25 16.52 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.65 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.79 -23.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.402 0.62 . . . . 0.0 109.418 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.674 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.18 -30.13 70.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.98 -1.24 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.306 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.085 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.536 0.208 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -103.83 169.94 8.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 173.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.763 ' HE2' HG12 ' A' ' 6' ' ' ILE . 87.1 tttt -87.6 133.03 33.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 112.024 -173.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -122.47 115.96 23.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.352 173.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.763 HG12 ' HE2' ' A' ' 4' ' ' LYS . 3.9 mt -104.77 113.81 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 110.866 -173.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -97.84 110.56 23.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.829 0.347 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -100.09 127.56 46.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 33.1 p80 -152.24 176.24 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.344 173.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.95 21.51 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.245 . . . . 0.0 111.577 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.45 77.06 0.58 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.742 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -137.46 159.89 67.54 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.32 -42.79 46.57 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.837 2.358 . . . . 0.0 112.27 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -41.58 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.729 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 37.5 m -61.59 -39.83 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.495 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.25 -47.35 92.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 -41.35 97.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.25 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.1 tt0 -72.87 -43.24 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.198 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -72.77 -33.64 66.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.54 -66.56 0.89 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.24 -42.68 81.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.612 0.244 . . . . 0.0 111.424 -173.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -73.01 -7.7 52.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.278 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -99.04 -23.7 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.997 0.427 . . . . 0.0 110.096 172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.63 76.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.09 91.32 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.19 127.21 92.66 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.696 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.75 -17.79 60.96 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.987 2.458 . . . . 0.0 112.636 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -86.87 -14.93 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.244 0.545 . . . . 0.0 109.992 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -103.5 -37.36 7.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.856 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.566 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 90.7 m-85 -139.88 147.21 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.057 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -83.38 95.8 8.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -84.0 119.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.644 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.86 113.43 20.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.67 119.07 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.747 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.34 125.45 70.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.045 0.45 . . . . 0.0 110.581 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -92.9 123.74 36.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.692 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.2 mt -88.24 -3.2 58.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.529 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.67 -29.46 16.07 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.642 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -65.5 -45.54 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.25 119.95 23.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.505 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 65.8 mttp -69.56 -24.93 63.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.187 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.65 84.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -75.39 -12.16 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.153 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 42' ' ' LYS . 72.2 mt -67.07 -43.18 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.65 85.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.246 176.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.65 95.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.31 -52.75 60.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.824 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -75.0 -10.65 59.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.276 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.86 -12.27 48.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.79 16.11 14.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.116 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.97 116.06 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.256 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -95.53 -32.63 12.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -153.04 175.25 13.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.483 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.94 147.17 64.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.623 0.249 . . . . 0.0 110.533 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HG3' ' SG ' ' A' ' 15' ' ' CYS . 5.6 Cg_exo -77.85 150.25 89.35 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 123.545 -1.44 . . . . 0.0 112.436 -0.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.34 117.56 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.95 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 61' ' ' ILE . 2.1 tt -100.46 102.12 13.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 47.1 t -79.01 95.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.956 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.475 HG12 HD22 ' A' ' 59' ' ' LEU . 69.2 mt -90.7 110.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.36 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.64 -2.94 2.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.46 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.08 -29.57 2.62 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.394 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.34 128.33 36.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.662 0.268 . . . . 0.0 110.627 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.51 119.09 22.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.069 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB3' HG23 ' B' ' 68' ' ' ILE . 81.6 m-85 -111.1 107.44 16.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.292 0.567 . . . . 0.0 110.467 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 52.0 m80 -81.01 109.2 15.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.624 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -89.85 106.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.667 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.8 96.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.896 0.747 . . . . 0.0 111.093 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.65 104.82 0.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.083 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.57 -52.07 0.88 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.756 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.65 136.88 34.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.644 0.259 . . . . 0.0 110.473 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.11 165.26 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.088 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 tt -75.2 -8.77 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.366 0.603 . . . . 0.0 110.106 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.6 -42.8 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.771 172.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.9 -14.46 62.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.249 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.4 tp -85.75 -6.69 59.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.314 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.366 177.792 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -94.49 178.53 5.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -87.76 126.69 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -119.78 97.28 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.3 pt -105.39 115.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.975 0.417 . . . . 0.0 112.013 -174.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' B' ' 59' ' ' LEU . 38.7 t80 -90.79 133.04 35.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.403 ' HE2' HD12 ' B' ' 6' ' ' ILE . 73.8 m-85 -122.8 123.02 40.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 -178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.717 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 31.0 p80 -146.15 168.18 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.12 25.47 10.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.13 29.77 60.0 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.729 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' B' ' 16' ' ' VAL . 4.1 m -85.05 145.23 42.84 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 -35.74 84.45 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.465 2.11 . . . . 0.0 111.713 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.35 -45.19 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.636 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 5.9 p -87.21 -9.02 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 12' ' ' CYS . 74.2 t -64.66 -51.46 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -64.09 -34.89 79.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.32 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 29.7 tt0 -59.27 -52.31 66.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 177.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -58.31 -41.35 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.089 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.72 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -71.46 -38.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -75.41 -12.52 60.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.978 0.418 . . . . 0.0 111.204 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.21 -24.28 15.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 0.0 109.817 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.33 -46.22 56.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.75 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.6 mt -89.04 112.8 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.636 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.26 151.9 40.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.074 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 31.4 Cg_exo -59.96 -21.04 63.08 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.585 2.856 . . . . 0.0 113.465 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.2 m -74.85 -44.63 48.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.229 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -71.27 -45.12 63.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.17 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 72.5 m-85 -144.07 135.8 26.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 32.4 m -75.26 96.42 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.185 0.517 . . . . 0.0 110.516 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 36.6 t -88.43 146.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.285 -175.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -145.22 130.76 18.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.611 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mm -100.4 121.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.821 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -119.91 128.74 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.454 . . . . 0.0 110.608 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -96.61 117.23 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.367 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -96.39 9.82 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.55 21.32 29.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.507 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.6 m -147.97 -71.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.668 -0.313 . . . . 0.0 110.692 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -73.86 116.83 14.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.192 0.52 . . . . 0.0 110.513 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.8 mttp -89.62 -14.16 35.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.49 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.229 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.531 HH21 ' CD ' ' B' ' 47' ' ' GLU . 0.6 OUTLIER -62.49 -29.06 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.787 178.134 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' B' ' 42' ' ' LYS . 72.1 mt -62.55 -42.44 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -67.51 -28.38 67.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.207 0.527 . . . . 0.0 110.896 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.531 ' CD ' HH21 ' B' ' 44' ' ' ARG . 34.8 mt-10 -80.22 -29.68 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.813 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.36 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.534 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 45.7 mt-10 -51.19 -47.12 62.29 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.645 0.736 . . . . 0.0 109.95 173.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -82.97 -11.18 58.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.463 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.89 31.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 0.0 110.832 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.74 8.92 27.53 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.732 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.98 105.54 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -93.79 -28.86 15.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.762 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.622 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.3 m -146.72 157.96 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.777 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.643 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.7 m -84.69 -172.29 0.35 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.603 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.643 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.1 Cg_exo 15.27 84.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.106 3.204 . . . . 0.0 115.375 -137.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -158.59 175.84 13.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 113.532 -1.667 . . . . 0.0 109.644 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.568 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 2.3 pt? -150.93 141.58 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.114 0.483 . . . . 0.0 111.081 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 6' ' ' ILE . 29.3 t -95.4 101.22 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.423 HG13 ' HG ' ' B' ' 59' ' ' LEU . 68.3 mt -96.7 115.96 37.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.188 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 73.26 -15.56 0.53 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.595 0.559 . . . . 0.0 111.489 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 0.77 3.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.168 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.0 123.94 48.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.628 0.251 . . . . 0.0 110.341 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 60' ' ' VAL . . . -88.31 105.38 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.927 0.394 . . . . 0.0 111.28 -177.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.413 ' O ' HD23 ' B' ' 59' ' ' LEU . 85.6 m-85 -97.22 132.58 42.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.622 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 69.3 m80 -96.74 120.43 37.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 66' ' ' PHE . 43.4 mt -109.41 109.96 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.646 -173.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 63.18 100.48 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 124.216 0.947 . . . . 0.0 109.174 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -43.57 102.22 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.224 0.953 . . . . 0.0 111.608 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.16 -100.14 0.53 Allowed Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.87 151.43 45.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.056 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.25 147.93 46.63 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.869 -1.158 . . . . 0.0 110.482 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 18.6 tt -60.11 -33.11 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.398 0.599 . . . . 0.0 110.681 -176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.873 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 2.7 m-20 -79.4 1.49 25.14 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -82.99 -23.05 33.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.51 -40.72 5.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.15 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.873 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 51.0 tttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.242 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -75.23 162.92 28.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -89.26 120.14 30.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.068 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.506 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -116.28 113.21 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.208 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.77 124.8 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.56 0.219 . . . . 0.0 110.745 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -109.27 112.36 24.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.876 0.37 . . . . 0.0 110.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.79 133.16 45.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.615 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 21.2 p80 -158.41 171.12 20.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 172.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.94 12.57 16.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 3.34 84.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.104 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.85 151.29 89.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.502 0.151 . . . . 0.0 110.643 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.05 -40.78 75.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.941 2.427 . . . . 0.0 112.028 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.25 -37.51 63.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.52 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.907 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 47.4 m -73.4 -39.2 65.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.881 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -57.35 -44.28 83.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.482 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 m -61.43 -48.12 82.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.54 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.63 -60.58 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -76.62 -16.74 59.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.8 -57.51 2.72 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.519 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 68' ' ' ILE . 47.9 t -70.21 -39.56 77.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.44 -3.96 30.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.502 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -107.21 -21.69 12.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 110.096 174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.57 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.786 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.87 110.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.14 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.31 131.2 94.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.887 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.57 -27.0 69.45 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.889 2.393 . . . . 0.0 112.553 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -79.59 -16.05 56.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.582 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -87.02 -57.94 2.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 81.7 m-85 -132.07 127.36 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.722 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 m -77.09 107.64 9.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 111.394 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.64 116.49 29.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.78 122.2 46.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.598 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.84 130.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.959 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -124.13 114.32 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.298 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -89.87 117.78 28.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HB3' HG12 ' A' ' 45' ' ' ILE . 90.4 mt -76.5 -7.01 54.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.49 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.56 -8.69 73.44 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.737 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.6 m -84.03 -33.21 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.32 135.68 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.276 -173.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 97.3 mttt -80.74 -21.15 41.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.113 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.54 -34.17 69.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.105 0.479 . . . . 0.0 110.246 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -73.42 -19.28 61.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -67.43 -41.3 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 172.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -64.71 -35.04 79.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.237 176.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.72 -51.07 70.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.153 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.11 -44.04 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.95 -46.66 84.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.007 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 63.7 mttp -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.22 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.11 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.306 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.59 21.4 1.03 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.694 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -86.99 106.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -105.35 -8.82 17.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.892 -176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m -148.02 158.24 43.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 57' ' ' PRO . 26.2 m -114.14 137.52 22.5 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.472 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.907 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.2 Cg_endo -91.89 168.93 24.99 Favored 'Cis proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.411 -1.495 . . . . 0.0 113.061 -0.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -146.26 145.3 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 HD21 ' HB1' ' A' ' 5' ' ' ALA . 6.2 tt -123.46 121.41 35.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.206 0.527 . . . . 0.0 109.633 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 40.5 t -90.22 106.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.281 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.81 93.14 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 51.38 46.63 26.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.53 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 60' ' ' VAL . . . 111.78 -37.7 3.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.826 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.66 111.65 20.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 110.766 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -90.05 108.97 20.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.397 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.39 123.29 48.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.225 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 66.1 m80 -74.44 118.75 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 22' ' ' VAL . 54.5 mt -97.19 104.19 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.81 0.338 . . . . 0.0 110.766 -176.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 t30 69.94 93.23 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.303 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.55 114.23 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.73 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.27 -79.07 1.17 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.973 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.32 154.53 47.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.548 0.214 . . . . 0.0 110.99 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.88 146.49 35.23 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -69.45 -26.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.965 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.647 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 47.7 m-20 -78.1 -10.24 59.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.371 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.58 -29.02 59.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.472 0.653 . . . . 0.0 109.486 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.2 -4.19 56.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.95 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.647 ' HG2' ' HA ' ' A' ' 75' ' ' ASP . 35.2 mmtp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.021 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.679 ' HA ' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -107.39 167.87 9.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.245 0.545 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.35 121.72 26.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -120.26 108.3 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -99.68 134.9 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.553 ' HD1' HG23 ' B' ' 35' ' ' ILE . 55.3 t80 -118.62 105.27 11.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.217 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.688 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 72.3 m-85 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.292 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.543 ' HB2' ' CB ' ' B' ' 15' ' ' CYS . 8.5 p80 -149.1 157.7 43.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.843 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.02 -53.23 2.64 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.18 3.22 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.396 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.619 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 89.6 m -148.52 -63.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 35.8 Cg_exo -56.97 -52.53 6.53 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.831 1.687 . . . . 0.0 113.263 -168.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' B' ' 71' ' ' GLY . 65.4 t -64.61 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.953 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' B' ' 9' ' ' HIS . 5.3 p -93.37 -41.48 9.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' B' ' 12' ' ' CYS . 75.9 t -60.66 -37.98 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 117.976 0.353 . . . . 0.0 111.673 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.9 m -61.25 -45.29 95.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -36.96 78.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.95 -57.07 13.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.533 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.75 -21.27 62.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.828 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 -57.67 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.134 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 59' ' ' LEU . 42.6 t -71.21 -39.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.759 -173.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.6 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.773 0.32 . . . . 0.0 111.475 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -104.98 -9.79 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.557 . . . . 0.0 110.261 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -87.4 -32.49 19.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.203 175.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.97 130.78 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.066 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.64 128.75 94.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.628 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.4 -21.53 71.35 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.63 2.22 . . . . 0.0 111.819 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -77.93 -35.44 50.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.134 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' B' ' 2' ' ' ALA . 53.1 tttp -72.97 -48.81 33.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.722 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -131.72 130.02 41.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.81 98.99 4.3 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.92 0.39 . . . . 0.0 110.392 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 44.4 t -82.37 108.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.061 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -104.79 106.62 17.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.906 177.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.553 HG23 ' HD1' ' B' ' 7' ' ' PHE . 37.2 mt -91.57 130.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.38 120.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -90.83 116.74 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.788 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.511 ' CD1' HG11 ' B' ' 56' ' ' VAL . 80.8 mt -80.51 -23.48 40.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.68 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.49 70.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.916 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.7 m -77.29 -43.91 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.66 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' B' ' 43' ' ' ALA . 28.7 t70 -134.63 115.04 13.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.69 -9.98 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.064 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' B' ' 41' ' ' ASP . . . -68.31 -27.03 65.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.311 0.577 . . . . 0.0 109.861 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -72.56 -20.62 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.403 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.81 -34.8 79.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.27 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.55 -50.16 73.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.53 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.28 90.53 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.5 -46.02 91.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 96.0 mttt -64.82 -38.0 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.63 -32.57 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.303 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.02 9.26 10.87 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.681 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.62 104.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.403 ' O ' HG12 ' B' ' 74' ' ' ILE . 8.4 mtmp? -87.78 -43.93 11.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.494 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.638 ' O ' ' HD2' ' B' ' 67' ' ' HIS . 22.1 m -103.48 111.31 23.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.759 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 0.0 OUTLIER -76.2 -154.04 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.033 -177.836 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.759 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.0 OUTLIER 11.38 91.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.664 2.243 . . . . 0.0 113.882 -136.711 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -146.75 162.89 37.61 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.785 -172.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 68' ' ' ILE . 61.6 tp -114.73 116.94 29.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.394 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 40.1 t -95.38 99.77 9.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.954 0.407 . . . . 0.0 110.46 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.47 92.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.88 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.41 75.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.071 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.08 -31.05 3.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.476 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.27 111.74 23.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.999 0.4 . . . . 0.0 110.897 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.99 107.22 19.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.007 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -94.49 106.15 18.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.947 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.638 ' HD2' ' O ' ' B' ' 55' ' ' SER . 50.6 m80 -63.64 111.39 2.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.574 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' B' ' 59' ' ' LEU . 60.0 mt -80.75 100.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.48 HD22 HG22 ' B' ' 68' ' ' ILE . 19.6 m-80 58.69 -150.71 0.43 Allowed 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -110.25 80.62 1.33 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 165.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -65.09 -66.15 2.59 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.65 -0.785 . . . . 0.0 111.222 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.717 ' HB3' HG23 ' B' ' 56' ' ' VAL . . . -139.47 177.41 7.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 172.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.78 141.4 12.38 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.727 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' LYS . 46.1 mm -59.37 -40.55 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.32 -35.07 71.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.774 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.27 -35.47 25.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.035 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -72.64 -24.27 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' B' ' 78' ' ' LYS . 3.0 mmpt? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.004 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -93.22 162.75 13.89 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 32' ' ' THR . 64.8 pttt -90.59 140.68 29.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.616 0.722 . . . . 0.0 111.986 -173.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.46 123.61 45.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.93 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.746 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 50.6 mm -95.35 110.99 25.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.205 -173.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HD2' HG23 ' A' ' 35' ' ' ILE . 55.2 t80 -87.42 93.29 9.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.645 ' CE1' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -97.17 124.02 41.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.624 -173.661 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 12.3 p80 -148.38 177.47 9.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.791 0.329 . . . . 0.0 110.839 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.35 17.47 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.28 5.71 61.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.9 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -63.49 129.75 93.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.81 -25.01 19.85 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 123.551 2.834 . . . . 0.0 113.953 -172.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' HD3' ' A' ' 57' ' ' PRO . 29.3 m -69.13 -14.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.48 -17.26 32.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.635 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.06 -55.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -69.67 -35.57 75.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.34 79.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 32.8 tt0 -68.72 -38.66 80.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.262 177.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -78.56 -8.18 58.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.622 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.06 -66.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.73 0.3 . . . . 0.0 111.642 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.7 -48.31 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.68 -8.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.794 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -88.2 -33.36 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.483 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -64.6 -51.44 62.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.519 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.9 mt -88.17 109.65 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.14 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB2' ' A' ' 29' ' ' SER . 4.6 p-10 -94.39 155.87 39.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 20.1 Cg_exo -67.23 -4.84 12.43 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.271 2.648 . . . . 0.0 114.008 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.425 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 39.2 m -82.21 -38.08 25.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.451 . . . . 0.0 110.12 176.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -79.56 -49.0 12.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 72.4 m-85 -133.63 151.93 51.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' ' CB ' ' A' ' 4' ' ' LYS . 2.5 m -75.48 89.5 2.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.925 0.393 . . . . 0.0 110.01 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.73 102.69 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.014 0.435 . . . . 0.0 110.701 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -107.79 117.62 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.416 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.531 HG23 ' HD2' ' A' ' 7' ' ' PHE . 63.7 mt -92.05 123.51 44.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.915 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.08 139.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.504 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -113.57 123.71 50.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.645 ' HG ' ' CE1' ' A' ' 8' ' ' TYR . 18.5 mt -82.38 -27.87 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 4.28 21.45 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.738 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 m -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.656 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -153.29 106.52 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.621 ' HA ' HG12 ' A' ' 45' ' ' ILE . 53.8 mtmt -89.25 2.89 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.296 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 -29.06 65.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.3 mtm105 -85.15 6.44 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.074 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.621 HG12 ' HA ' ' A' ' 42' ' ' LYS . 34.9 mm -64.45 -42.88 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 173.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . . . -67.14 -30.42 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.418 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.662 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.5 -35.52 81.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.419 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' OE1' ' HA ' ' A' ' 46' ' ' ALA . 40.6 mt-10 -59.27 -38.78 80.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.215 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -64.8 -45.5 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.6 -18.76 62.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.02 25.68 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.898 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 61.9 t -80.16 106.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.069 0.462 . . . . 0.0 110.035 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -96.4 -22.69 17.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.465 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 51.1 m -152.14 160.24 43.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.291 178.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 24.2 m -120.12 144.41 37.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.351 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 90.7 Cg_endo -80.95 155.99 83.96 Favored 'Cis proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.284 -1.548 . . . . 0.0 113.047 2.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -139.44 131.86 28.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.978 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.0 tp -96.78 102.91 14.78 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 36.3 t -85.25 96.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.337 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.5 mt -93.21 102.21 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.312 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 65.62 2.82 2.19 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.561 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.64 -30.69 2.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.459 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 120.48 26.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.689 0.28 . . . . 0.0 110.507 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -91.03 110.64 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.938 0.399 . . . . 0.0 110.977 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' B' ' 68' ' ' ILE . 98.9 m-85 -99.67 106.74 18.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.019 176.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HD2' ' O ' ' A' ' 55' ' ' SER . 51.1 m80 -69.99 137.52 51.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.597 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 54.6 mt -108.41 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.678 HD21 ' HD1' ' B' ' 66' ' ' PHE . 89.1 m-20 67.17 -175.59 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.803 -178.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.91 105.71 15.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.14 -79.36 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.933 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.19 119.85 14.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.62 149.67 45.41 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.642 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.0 -27.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 110.919 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.19 -37.79 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 111.518 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -78.03 -15.57 58.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.84 -28.88 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.311 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 -178.247 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 40.9 m -76.15 138.06 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -87.06 108.96 19.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 111.445 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.45 105.03 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.701 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 45.8 mm -95.3 123.29 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.513 ' HD2' HG23 ' B' ' 35' ' ' ILE . 81.8 t80 -104.09 104.42 14.36 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.47 127.28 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.242 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' HIS . . . . . 0.874 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 12.6 p80 -141.5 -179.97 6.46 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.707 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.74 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.523 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -15.72 52.42 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.181 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.44 149.48 28.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 122.574 0.35 . . . . 0.0 111.285 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.54 -25.65 50.59 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.887 2.391 . . . . 0.0 112.884 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.98 -33.62 53.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.5 m -63.58 -42.71 98.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.906 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.65 -48.59 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -60.77 -40.29 91.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.983 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.92 72.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.48 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 30.3 tt0 -66.68 -49.4 66.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -67.26 -28.69 68.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.72 -71.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.63 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.7 t -66.91 -52.07 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.678 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.74 -5.03 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.83 -175.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -108.67 -12.68 14.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.45 0.643 . . . . 0.0 110.031 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.68 -27.5 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.513 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.36 137.39 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.633 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 10.5 t70 -80.07 120.2 78.96 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -24.31 79.16 Favored 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.185 2.59 . . . . 0.0 113.294 -177.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.8 m -94.07 -15.35 24.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.21 0.528 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 84.2 tttt -86.53 -46.06 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.733 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 72.1 m-85 -135.17 137.09 42.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.201 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -78.38 105.35 9.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.76 137.18 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.649 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HB3' HD13 ' B' ' 6' ' ' ILE . 36.2 tt0 -138.87 121.99 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' B' ' 7' ' ' PHE . 67.1 mt -95.36 125.41 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.486 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.69 115.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.931 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -89.23 112.45 23.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.818 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.522 HD12 ' CG1' ' B' ' 56' ' ' VAL . 58.9 mt -85.55 2.25 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.59 73.32 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.065 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 p -83.46 -75.13 0.34 Allowed 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.069 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' B' ' 44' ' ' ARG . 2.2 m-20 -85.16 105.17 15.67 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.718 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.436 ' HG3' HD12 ' B' ' 45' ' ' ILE . 86.0 tttt -65.78 -24.09 66.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 0.0 109.98 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -26.66 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.38 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' B' ' 41' ' ' ASP . 82.1 mmt-85 -71.75 -26.1 62.32 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' B' ' 42' ' ' LYS . 73.9 mt -58.64 -42.94 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.08 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.821 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.12 -36.97 80.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.99 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.265 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.11 -39.71 94.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.549 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.85 -35.31 80.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.717 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.74 66.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.324 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.79 18.03 5.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.271 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.07 106.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' B' ' 67' ' ' HIS . 46.9 mttm -88.12 -22.92 23.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.9 m -151.71 150.58 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.551 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 5.6 m -84.88 -163.34 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.532 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.692 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.874 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.0 OUTLIER 11.18 91.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.625 2.883 . . . . 0.0 114.395 -135.233 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.93 163.91 37.58 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.113 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.721 ' HB2' HD11 ' B' ' 68' ' ' ILE . 55.5 tp -118.59 119.53 34.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.077 0.465 . . . . 0.0 110.517 -178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.701 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 59.9 t -102.75 109.5 26.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.406 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.54 96.16 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 12.8 t70 59.11 24.6 12.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.488 173.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.1 -31.99 3.54 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.858 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 111.76 20.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.38 . . . . 0.0 110.925 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.27 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.752 -175.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.678 ' HD1' HD21 ' A' ' 69' ' ' ASN . 89.8 m-85 -113.24 128.49 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.92 176.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' B' ' 54' ' ' LYS . 35.7 m80 -78.15 135.7 37.7 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.072 -175.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.721 HD11 ' HB2' ' B' ' 59' ' ' LEU . 63.1 mt -103.65 101.86 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 61.05 -159.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -172.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -106.87 88.85 2.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -68.39 -90.18 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 177.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 142.79 36.44 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.884 172.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.93 137.15 25.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.1 -1.048 . . . . 0.0 111.309 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 tt -68.55 -24.28 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.516 0.674 . . . . 0.0 109.903 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.55 -27.96 51.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.162 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.52 -32.42 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.36 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.42 -35.96 72.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.269 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.518 175.86 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.694 0.283 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.51 174.95 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.975 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -76.58 163.47 26.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.708 0.289 . . . . 0.0 110.353 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD3' HD11 ' A' ' 6' ' ' ILE . 24.1 ttmm -106.36 126.03 51.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.105 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.66 100.21 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.857 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.453 HD11 ' HD3' ' A' ' 4' ' ' LYS . 15.4 mt -95.35 122.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.151 -176.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' HB3' HG12 ' A' ' 35' ' ' ILE . 41.7 t80 -107.08 103.37 12.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.789 0.328 . . . . 0.0 110.668 -174.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.404 ' CD1' HG21 ' A' ' 53' ' ' VAL . 63.5 m-85 -94.66 130.21 41.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 17.0 p80 -160.17 159.37 31.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 173.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.82 13.64 34.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.55 13.92 77.22 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 29.4 m -67.14 152.14 96.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.85 -46.76 28.66 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.849 2.366 . . . . 0.0 112.403 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -62.32 -35.02 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.732 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 59.2 m -67.91 -41.45 82.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.438 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.3 -39.46 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -60.65 -44.67 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.55 -38.52 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.17 -50.92 64.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 0.0 110.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -63.08 -36.58 84.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.749 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.24 -68.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.729 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.73 -50.48 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.813 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.8 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 111.763 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -93.75 -17.35 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.357 . . . . 0.0 110.805 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.2 -21.68 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -79.85 129.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.933 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.49 133.92 33.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.331 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 21.7 Cg_exo -66.25 -5.03 11.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.046 2.498 . . . . 0.0 112.499 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -72.8 -47.87 42.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.209 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -89.1 -43.87 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 61.2 m-85 -126.42 122.5 35.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 111.444 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.9 m -80.32 106.15 12.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.589 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -80.88 107.41 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.923 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 36.1 mt-10 -104.19 95.43 5.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.02 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 HG12 ' HB3' ' A' ' 7' ' ' PHE . 69.4 mt -82.36 127.71 39.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.88 113.74 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.115 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -83.73 119.37 24.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.52 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -101.57 10.43 40.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.05 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.61 25.02 25.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.282 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.66 -51.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.101 0.477 . . . . 0.0 110.051 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' CG ' ' HG3' ' A' ' 44' ' ' ARG . 12.8 t0 -84.61 108.51 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.88 -4.41 58.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.086 0.47 . . . . 0.0 111.297 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.16 -30.23 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.238 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' CG ' ' A' ' 41' ' ' ASP . 57.4 mtt180 -74.1 -11.91 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.058 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 67.7 mt -60.43 -39.53 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.28 70.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.864 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.29 -43.11 61.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.914 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.88 -43.02 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.425 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 41.6 mt-10 -51.29 -45.47 62.17 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.419 0.628 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -84.99 -25.68 27.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.207 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -23.48 63.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.7 5.55 27.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.85 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 54.3 t -82.03 102.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.188 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -109.27 -5.85 15.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.263 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.601 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.6 m -151.92 167.43 28.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.755 174.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.01 141.67 42.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.732 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.0 Cg_endo -85.03 148.83 49.46 Favored 'Cis proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.098 -1.626 . . . . 0.0 113.068 1.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.71 126.8 47.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.964 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.68 101.42 12.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.065 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.3 t -84.2 102.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -110.92 115.88 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.962 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.24 25.49 15.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.006 0.432 . . . . 0.0 111.244 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.23 -19.93 52.06 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.3 112.47 21.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -86.47 103.46 15.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.65 104.95 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.881 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -76.91 95.33 4.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.495 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -88.16 111.53 22.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.984 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 66.19 102.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.795 0.684 . . . . 0.0 111.124 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -71.62 101.69 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.894 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.6 -55.51 1.15 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.4 47.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -99.08 171.75 24.86 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -69.62 -24.45 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -30.85 71.0 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.113 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -71.03 -23.18 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.21 -18.96 22.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.401 0.62 . . . . 0.0 109.812 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -90.77 88.62 7.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.84 -75.12 0.97 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.493 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.874 177.665 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.591 0.234 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.88 40.23 1.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.712 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.7 152.18 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -89.55 145.75 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.384 0.611 . . . . 0.0 111.654 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.05 119.61 39.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.417 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.91 109.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.817 0.341 . . . . 0.0 110.489 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' B' ' 68' ' ' ILE . 87.8 t80 -100.46 111.98 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.442 ' CD1' HG21 ' B' ' 53' ' ' VAL . 54.6 m-85 -94.95 131.59 40.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.097 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.762 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 7.6 p80 -142.82 173.52 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.349 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.3 17.78 3.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.425 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.42 67.51 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.061 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 m -59.02 153.55 44.22 Favored Pre-proline 0 C--N 1.328 -0.368 0 C-N-CA 122.343 0.257 . . . . 0.0 110.83 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.71 -38.02 65.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.065 2.51 . . . . 0.0 113.029 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.06 -28.49 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.383 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 14.3 m -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.065 0.46 . . . . 0.0 109.977 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 21.9 t -62.77 -48.98 85.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.532 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -57.43 -47.01 82.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.85 91.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 28.1 tt0 -67.58 -40.19 84.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.883 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 97.7 mt-30 -65.34 -53.93 36.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.279 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.69 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.65 -43.63 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.848 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.1 -10.0 59.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -102.42 -24.12 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.724 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.11 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.456 0.646 . . . . 0.0 109.724 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.4 mt -102.58 82.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.588 ' OD1' ' HE2' ' B' ' 30' ' ' LYS . 5.9 p-10 -78.4 153.01 79.0 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.119 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 39.4 Cg_exo -62.41 -9.98 17.32 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.79 2.993 . . . . 0.0 114.358 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.49 ' HB3' ' OD2' ' B' ' 27' ' ' ASP . 22.9 t -71.43 -24.46 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.526 0.679 . . . . 0.0 109.254 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.588 ' HE2' ' OD1' ' B' ' 27' ' ' ASP . 45.7 mtmt -102.32 -55.41 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.562 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 92.1 m-85 -137.0 120.97 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.866 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.5 m -68.59 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.553 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.61 119.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.6 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.38 111.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.913 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.33 113.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.469 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -100.33 111.18 23.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.5 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.83 -13.27 61.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.096 0.474 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.49 -26.24 74.71 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.556 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 27.0 m -86.22 -49.48 7.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.598 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' B' ' 44' ' ' ARG . 28.5 t70 -117.05 109.5 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.338 -177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -86.3 -24.49 25.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.0 3.78 7.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.002 0.43 . . . . 0.0 111.143 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.514 ' HB2' ' OD2' ' B' ' 41' ' ' ASP . 3.4 ttm180 -92.44 -0.53 57.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 72.9 mt -58.36 -42.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 175.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.81 73.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.266 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.57 -45.81 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.94 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -56.69 -43.78 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 53.3 mt-10 -53.45 -51.92 61.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -72.07 -22.61 61.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.431 -175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.25 -23.0 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.584 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.77 7.78 33.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.75 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 48.7 t -81.1 105.0 10.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.552 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.16 -17.06 24.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -151.22 151.18 31.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.645 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.2 m -74.52 -167.74 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.762 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 9.8 Cg_exo 11.14 84.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.442 0 C-N-CA 123.79 2.993 . . . . 0.0 114.581 -138.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.42 155.09 34.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.112 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 HD11 ' B' ' 68' ' ' ILE . 2.4 pt? -130.19 137.53 50.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.198 0.523 . . . . 0.0 111.214 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.9 t -100.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.254 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -104.79 111.29 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.595 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.95 8.84 3.37 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.146 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.56 -25.64 5.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.101 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.69 120.87 28.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.746 0.308 . . . . 0.0 110.624 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.51 124.27 34.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.311 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -117.89 123.03 44.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.336 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 70.5 m80 -87.77 120.55 29.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.364 -177.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.526 HD11 HD22 ' B' ' 59' ' ' LEU . 56.0 mt -86.57 97.91 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t30 67.15 12.67 9.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.909 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 58.23 84.72 0.1 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.175 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.2 -87.53 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.119 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.66 137.09 34.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.63 140.03 48.21 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.389 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.88 -27.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.081 0.467 . . . . 0.0 110.572 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 15.7 t70 -84.34 -3.65 58.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.71 -25.86 37.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.193 0.52 . . . . 0.0 110.068 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.11 -3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.857 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 29.5 tttm -120.52 146.13 46.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.758 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.36 -121.13 3.37 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 172.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.841 -0.599 . . . . 0.0 109.675 175.731 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.852 0.358 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -134.75 105.82 6.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.485 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 15.2 m -78.44 -171.57 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 32' ' ' THR . 77.0 tttt -115.22 150.48 36.07 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.383 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -139.14 111.27 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.869 0.366 . . . . 0.0 110.488 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.666 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 42.7 mm -97.07 122.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.107 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' ILE . 54.7 t80 -107.23 102.0 11.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 61.7 m-85 -92.15 131.62 37.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.341 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.727 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.9 p80 -157.25 167.82 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.669 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 12.03 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.713 0.292 . . . . 0.0 111.745 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.13 6.48 84.58 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.055 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.9 m -72.06 151.24 92.66 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.602 0.201 . . . . 0.0 110.552 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.17 -41.25 73.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.62 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.206 0.527 . . . . 0.0 110.534 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.687 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 56.9 m -70.33 -42.06 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.16 -37.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -60.92 -46.78 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.604 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.02 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.4 tt0 -64.77 -55.3 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.72 -8.09 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -62.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.587 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.79 -44.29 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.144 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -78.32 0.2 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.701 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -97.91 -27.04 14.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -76.8 -32.41 57.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.528 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.84 128.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.884 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -85.61 132.27 45.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.54 -19.58 68.16 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.964 2.443 . . . . 0.0 113.08 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -98.7 7.35 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.18 0.514 . . . . 0.0 110.411 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 58.3 tttp -113.65 -37.86 4.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 57.8 m-85 -135.07 141.94 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.57 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.545 ' HB ' ' HG3' ' A' ' 4' ' ' LYS . 6.9 m -84.52 95.4 8.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.441 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 48.5 t -88.95 116.38 30.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -172.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -117.85 113.65 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.646 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' A' ' 7' ' ' PHE . 70.3 mt -89.39 128.41 41.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.159 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.9 t -117.5 116.74 52.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -85.07 110.27 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.437 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 56' ' ' VAL . 91.4 mt -85.61 -1.29 56.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.29 -28.96 21.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.059 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 m -75.05 -55.36 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 110.793 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' OD2' ' HG3' ' A' ' 44' ' ' ARG . 25.2 t70 -115.68 138.07 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.608 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.34 -19.28 25.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.595 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.15 63.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.075 0.464 . . . . 0.0 110.525 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HG3' ' OD2' ' A' ' 41' ' ' ASP . 85.9 mtt-85 -67.75 -22.01 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -66.31 -32.62 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.6 93.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.53 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.75 -46.12 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.22 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.57 -46.89 87.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.19 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.51 -46.05 91.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.19 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -75.81 -12.25 60.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.2 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.25 -18.83 24.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.1 11.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.7 t -82.76 126.21 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.308 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -101.09 -39.44 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.02 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -145.44 169.59 18.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 -173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.727 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.9 m -129.57 151.51 78.12 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.01 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.687 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 65.1 Cg_endo -74.67 140.28 66.44 Favored 'Cis proline' 0 C--O 1.234 0.317 0 C-N-CA 123.067 -1.639 . . . . 0.0 113.029 2.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -112.81 145.66 40.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 tp -123.2 101.98 7.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.904 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.666 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 48.7 t -85.15 99.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.854 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.83 98.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.7 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 59.95 19.6 8.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.972 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.6 -12.08 9.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.725 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.83 125.75 41.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.613 -0.345 . . . . 0.0 110.222 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.25 104.48 17.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.019 0.438 . . . . 0.0 111.518 -174.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -106.05 164.16 12.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -128.93 142.68 50.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.725 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.4 mt -131.92 100.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.368 0.417 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 67.11 121.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.705 0.802 . . . . 0.0 112.025 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -73.46 95.23 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.49 -51.38 2.19 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -139.28 154.88 48.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.315 -0.443 . . . . 0.0 109.87 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.503 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -119.1 143.98 17.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.726 -178.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 17.4 tt -63.45 -28.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 110.802 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -35.28 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.624 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.11 -34.36 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.257 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 85.0 mt -55.14 -48.99 72.93 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.625 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -71.97 111.75 7.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 121.96 -4.12 10.65 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 -172.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.095 178.227 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.877 0.37 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.15 82.01 2.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -56.01 149.14 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.87 119.73 31.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.081 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.97 123.81 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.78 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -103.86 119.24 52.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.07 0.462 . . . . 0.0 110.571 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.461 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.1 t80 -95.3 122.52 38.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.348 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -105.96 124.15 49.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.469 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.948 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 5.9 p80 -135.62 172.04 13.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.408 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.9 0.31 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.598 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.0 -3.22 87.12 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.713 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 p -74.94 161.59 76.96 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.927 -0.161 . . . . 0.0 110.682 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.94 -31.18 26.29 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.34 2.694 . . . . 0.0 113.466 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.06 -29.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.464 . . . . 0.0 110.846 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 39.6 m -68.47 -32.45 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.0 -48.37 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -58.42 -47.11 85.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.06 81.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.201 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 32.3 tt0 -64.68 -57.53 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -67.29 -31.3 71.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.061 -172.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.84 -64.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.979 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.07 -46.1 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.45 -4.15 31.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.719 0.295 . . . . 0.0 111.61 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -110.95 -16.6 13.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.848 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.21 -46.4 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.136 0.493 . . . . 0.0 109.953 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.84 111.71 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 11.1 t70 -68.8 126.82 93.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.237 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 23.5 Cg_exo -65.19 -15.46 50.31 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.164 2.576 . . . . 0.0 113.176 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.76 -15.57 34.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.406 0.622 . . . . 0.0 109.526 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -99.35 -36.08 9.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.169 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 97.5 m-85 -136.69 160.05 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.232 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 38.3 m -95.81 105.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.537 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.8 111.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.625 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -108.1 123.07 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' HD2' ' B' ' 7' ' ' PHE . 64.6 mt -102.08 127.41 55.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 -175.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.96 132.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.9 114.45 23.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.074 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.6 tp -109.73 13.97 23.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.465 0.65 . . . . 0.0 110.188 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 30.84 8.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.277 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.6 m -153.89 -53.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.811 -0.229 . . . . 0.0 111.141 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 33.4 m-20 -88.0 110.48 20.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -68.52 -21.76 64.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.64 67.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.188 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 69.6 mtt-85 -80.72 -14.98 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.258 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.536 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 74.1 mt -65.15 -38.08 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.795 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.25 -36.93 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.401 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.612 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 39.3 mt-10 -69.56 -39.15 77.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.349 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.2 -37.7 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.736 177.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 31.1 mt-10 -73.96 -13.45 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' B' ' 47' ' ' GLU . 65.7 mttm -78.12 -42.46 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.77 48.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.17 26.7 6.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.29 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.9 t -76.14 127.34 37.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -106.21 -16.67 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.683 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.3 m -152.11 147.95 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.599 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.614 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.0 m -80.41 -169.74 0.22 Allowed Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.948 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.3 Cg_exo 14.69 84.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.505 0 C-N-CA 123.544 2.829 . . . . 0.0 114.44 -135.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.636 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -149.55 161.07 42.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.639 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 61.1 tp -125.57 114.74 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.967 0.413 . . . . 0.0 110.721 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 48.3 t -94.92 102.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.928 0.394 . . . . 0.0 110.461 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.3 mt -93.34 98.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.358 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 46.85 75.04 0.13 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.795 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.94 -41.71 3.08 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.555 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.33 114.8 22.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -85.57 107.28 17.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.198 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.56 100.74 11.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.073 0.463 . . . . 0.0 109.996 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.525 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.6 m80 -70.82 137.91 49.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' B' ' 58' ' ' ALA . 9.5 mt -95.88 -175.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.624 ' H ' HG22 ' B' ' 68' ' ' ILE . 9.4 m120 -28.0 117.4 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.385 0.428 . . . . 0.0 110.614 167.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -44.47 105.74 0.06 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 124.372 1.045 . . . . 0.0 112.257 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.83 -89.13 0.63 Allowed Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.927 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.581 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.99 140.24 36.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.021 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.63 143.57 40.58 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.51 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.0 tt -65.33 -25.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.351 0.596 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.05 -31.61 68.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.325 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.87 -27.56 61.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.273 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.56 -15.34 60.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.17 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.14 96.79 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.79 -28.43 9.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.776 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 119.143 -0.455 . . . . 0.0 110.512 -179.431 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -95.66 155.39 16.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.519 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 67.4 m -151.59 171.43 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.96 0.409 . . . . 0.0 111.193 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.44 136.18 51.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . . . -142.44 120.44 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.324 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 32.4 mt -120.34 135.18 61.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.252 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' HD1' ' HD2' ' A' ' 9' ' ' HIS . 22.2 t80 -119.05 106.18 12.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.21 126.01 40.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.08 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.6 p80 -161.92 172.92 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.35 7.11 13.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.66 15.06 60.41 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.337 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' A' ' 16' ' ' VAL . 14.4 m -66.24 147.33 98.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.21 -27.2 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.48 -45.26 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 19.5 p -80.75 -16.56 53.54 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.371 -175.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 12' ' ' CYS . 95.6 t -58.7 -46.06 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.198 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -61.75 -33.51 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.76 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -38.79 67.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.741 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 38.9 tt0 -67.58 -24.09 65.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.521 . . . . 0.0 110.072 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.12 -57.31 3.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.72 -66.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.43 -39.98 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.44 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -77.06 1.45 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.95 -9.34 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.392 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.64 35.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.32 101.26 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.789 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.47 164.77 14.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.953 -174.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 37.7 Cg_exo -62.33 -8.86 13.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.559 2.839 . . . . 0.0 114.921 -173.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -74.54 -22.97 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.288 0.566 . . . . 0.0 110.045 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 30.0 mtpp -110.68 -46.49 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 96.1 m-85 -134.18 143.02 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.331 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -84.15 91.16 7.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -80.55 110.91 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.562 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.17 118.44 36.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.48 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -80.54 128.82 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.346 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.81 111.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 0.0 110.366 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -88.34 116.96 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.113 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.1 mt -92.06 1.31 57.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.47 -55.98 3.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.456 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.5 m -71.13 -40.61 71.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 0.0 110.773 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.11 97.27 7.11 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.26 -7.24 59.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.356 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.89 -23.23 55.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 109.84 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -73.55 -10.21 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.756 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.93 -31.98 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.65 77.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.117 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.31 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.45 -54.99 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.761 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.09 -29.45 70.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.985 0.421 . . . . 0.0 110.624 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.89 -37.43 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.542 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 -24.96 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.167 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.81 4.62 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.611 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 89.4 t -70.05 114.13 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -112.24 -10.81 13.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.666 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -145.3 159.43 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.702 0.287 . . . . 0.0 110.508 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.57 145.39 42.74 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.076 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.733 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 98.4 Cg_endo -79.79 158.29 88.6 Favored 'Cis proline' 0 C--N 1.344 0.314 0 C-N-CA 123.236 -1.568 . . . . 0.0 112.742 -0.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.65 121.78 31.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -99.9 108.61 20.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.782 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 47.5 t -96.92 106.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.946 0.403 . . . . 0.0 110.67 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.4 mt -96.36 105.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.538 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 65.39 -74.62 0.05 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 111.309 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 9.05 1.81 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.109 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.39 115.17 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.753 0.311 . . . . 0.0 110.513 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.57 114.33 26.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.474 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.5 m-85 -106.65 115.13 29.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.013 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.04 111.73 10.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.987 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.733 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 51.5 mt -74.45 93.54 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 66.57 169.92 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.097 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -100.16 90.36 4.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.49 -69.14 1.39 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.571 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.4 130.13 26.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.572 0.225 . . . . 0.0 110.491 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.52 144.65 30.7 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.244 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 13.1 tt -72.31 -15.96 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.159 0.504 . . . . 0.0 110.85 -175.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -80.3 -22.63 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 109.805 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.79 -30.6 32.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.389 175.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.67 -24.6 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.458 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 65.3 mttp -66.15 -38.01 87.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.57 -107.15 2.12 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.608 -175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.587 -0.72 . . . . 0.0 109.577 176.818 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.89 87.92 1.81 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.024 0.44 . . . . 0.0 111.295 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -82.57 168.99 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.658 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' HB ' ' B' ' 32' ' ' THR . 83.1 tttt -93.79 126.12 38.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.0 111.326 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.97 116.09 22.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.758 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.423 HD11 ' HE2' ' B' ' 4' ' ' LYS . 50.5 mt -104.44 127.67 58.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.45 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.491 ' HD2' HG23 ' B' ' 35' ' ' ILE . 80.9 t80 -104.76 128.18 52.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -113.1 133.38 55.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 27.1 p80 -149.94 176.37 10.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.209 -0.197 . . . . 0.0 110.749 174.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 12.69 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.06 0.71 80.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.812 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.2 m -61.67 159.1 36.41 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.878 0.339 . . . . 0.0 110.563 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.69 -37.59 84.04 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.757 2.304 . . . . 0.0 112.108 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.34 -31.94 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 50.0 m -65.52 -43.88 88.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.04 -45.29 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 27.0 t -64.87 -42.62 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.075 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.6 86.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.305 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 15' ' ' CYS . 50.7 mt-10 -65.27 -53.96 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.0 -69.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.532 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.17 -49.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.08 -7.19 47.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.727 0.299 . . . . 0.0 111.549 -176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -109.97 -9.92 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.0 110.729 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -42.21 50.07 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.18 113.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.494 ' HB2' ' HD2' ' A' ' 30' ' ' LYS . 9.9 t70 -73.13 136.75 79.07 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.15 -172.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.01 -20.03 68.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.126 2.551 . . . . 0.0 112.666 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -97.19 2.75 51.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 110.285 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -106.2 -41.84 5.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -140.92 161.24 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.607 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' THR . . . . . 0.495 ' HB ' ' HA ' ' B' ' 4' ' ' LYS . 23.5 m -85.63 95.47 9.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.8 117.51 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -119.48 119.44 33.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.229 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.17 121.51 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.64 120.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 110.951 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -84.33 108.45 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.314 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.709 HD12 HG12 ' B' ' 56' ' ' VAL . 86.6 mt -79.74 -24.1 41.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 111.086 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 45.34 3.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.268 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 86.4 m -141.06 -52.59 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 110.469 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.62 ' HB3' ' HG3' ' B' ' 44' ' ' ARG . 11.8 t70 -115.38 131.85 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.59 -26.71 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.53 -22.5 57.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.62 ' HG3' ' HB3' ' B' ' 41' ' ' ASP . 1.4 mmp_? -62.55 -33.0 74.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.48 -48.58 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.812 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.13 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 44' ' ' ARG . 39.5 mt-10 -62.85 -44.59 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.403 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.32 -40.05 89.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.532 0.206 . . . . 0.0 111.08 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.84 -29.37 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 111.164 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.52 -10.45 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.23 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.59 1.1 34.8 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.275 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.33 108.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.09 0.471 . . . . 0.0 110.368 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -101.13 -12.32 18.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.6 m -143.39 145.28 32.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.631 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.709 HG12 HD12 ' B' ' 38' ' ' LEU . 14.2 m -76.47 -171.23 0.24 Allowed Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.775 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 2.3 Cg_exo 12.97 93.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 123.657 2.905 . . . . 0.0 114.757 -133.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.24 151.03 37.74 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.253 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 tp -122.86 119.54 30.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.427 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.35 105.44 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -100.31 105.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.09 23.09 11.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.546 0.689 . . . . 0.0 111.349 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.13 -25.54 9.86 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.382 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.57 112.31 19.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.679 0.276 . . . . 0.0 110.462 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.94 111.72 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.076 0.465 . . . . 0.0 111.638 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -113.36 111.98 22.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.555 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.7 m80 -65.51 129.2 38.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.409 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 49.0 mm -94.65 96.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.082 0.468 . . . . 0.0 110.155 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 4.6 t-20 67.3 -174.1 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.356 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -90.84 93.43 9.22 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.87 -103.68 0.48 Allowed Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.872 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.61 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.29 159.0 43.16 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.012 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.66 123.06 6.53 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.477 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 tt -65.72 -19.72 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 121.425 0.631 . . . . 0.0 110.52 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 78' ' ' LYS . 28.7 t70 -69.67 -23.82 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.713 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.96 -23.38 66.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.414 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.72 -8.35 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 75' ' ' ASP . 54.5 mttp -90.05 -4.22 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.057 0.456 . . . . 0.0 110.083 175.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.69 -99.14 1.61 Allowed Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.249 1.033 0 CA-C-O 119.133 -0.46 . . . . 0.0 110.189 177.857 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.59 81.11 8.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.227 0.537 . . . . 0.0 110.752 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -89.32 -174.45 4.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HE3' HD11 ' A' ' 6' ' ' ILE . 65.2 pttt -125.42 165.0 19.21 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.833 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -130.44 113.29 14.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.701 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.503 HD11 ' HE3' ' A' ' 4' ' ' LYS . 29.9 mt -95.91 119.84 44.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 110.336 -175.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.594 ' HD1' ' HG ' ' A' ' 59' ' ' LEU . 47.5 t80 -102.28 103.0 13.45 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.987 -176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.83 126.8 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.961 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 17.7 p80 -154.3 -179.56 8.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.61 0.243 . . . . 0.0 110.774 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 18.69 10.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.682 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.65 3.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.823 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -113.64 146.6 35.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.37 -35.92 98.86 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.022 2.481 . . . . 0.0 112.393 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.23 -38.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.288 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 17.5 m -67.15 -45.5 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.083 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.33 -37.39 63.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 m -62.3 -38.28 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.359 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.8 67.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.899 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' CYS . 57.7 mt-10 -65.93 -39.8 90.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.55 -28.95 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.97 -71.1 0.72 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.75 -47.91 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.538 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -71.17 -11.45 60.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.555 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.73 -7.57 20.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.057 0.456 . . . . 0.0 110.75 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.45 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.88 116.21 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.895 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.9 t70 -70.99 132.09 86.85 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 39.1 Cg_exo -58.37 -37.65 94.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.447 2.765 . . . . 0.0 113.763 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -85.76 1.52 49.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.284 0.564 . . . . 0.0 110.855 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -96.15 -53.42 3.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -137.01 121.82 18.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.093 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 30.4 m -71.26 108.87 4.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.941 0.4 . . . . 0.0 111.188 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.3 t -83.11 123.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.89 115.2 29.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 7' ' ' PHE . 45.3 mm -87.39 117.92 32.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.09 126.05 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 0.0 111.239 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -96.25 107.86 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.039 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.22 -10.38 59.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.534 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.37 -23.42 68.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.299 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -93.2 -14.13 27.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.017 0.437 . . . . 0.0 110.99 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 12.1 t70 -137.61 113.26 9.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.857 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' HG13 ' A' ' 45' ' ' ILE . 99.1 mttt -89.12 -9.25 51.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.426 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.45 -37.62 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.077 0.465 . . . . 0.0 109.918 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HG3' ' OD1' ' A' ' 41' ' ' ASP . 55.1 mtt180 -68.73 -17.55 64.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.879 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 HD11 ' A' ' 74' ' ' ILE . 60.4 mt -60.2 -42.73 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.294 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.32 88.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.19 -43.08 92.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.352 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.04 -41.04 99.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 49.2 mt-10 -58.62 -48.9 79.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.958 177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.33 -35.0 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.984 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.18 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.94 32.81 0.97 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.304 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 63.7 t -96.99 110.67 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -106.14 -17.27 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.198 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.412 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 19.7 m -143.26 156.69 44.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.5 m -122.89 145.82 46.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.968 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 95.4 Cg_endo -80.77 151.93 81.4 Favored 'Cis proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.11 -1.621 . . . . 0.0 113.135 1.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -125.69 130.92 52.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.036 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HG ' ' HD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -105.27 107.89 19.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.149 0.499 . . . . 0.0 109.994 -178.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 5' ' ' ALA . 48.0 t -88.48 94.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.363 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 39.5 mt -91.8 121.08 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 4.2 m-20 71.03 -53.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.812 0.695 . . . . 0.0 110.909 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.55 -21.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.299 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.83 137.49 32.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.973 0.386 . . . . 0.0 110.461 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.83 107.13 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.924 0.393 . . . . 0.0 111.455 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.1 114.77 29.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.856 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 69.2 m80 -72.14 148.12 45.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.47 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.581 HD11 HD12 ' A' ' 59' ' ' LEU . 64.0 mt -119.42 103.14 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 92.5 m-20 66.62 -178.7 0.2 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.612 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -123.47 90.52 3.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.56 -62.32 1.64 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 152.21 46.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.0 163.24 26.67 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.327 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.521 HD11 HG23 ' A' ' 45' ' ' ILE . 10.8 tp -73.69 -26.6 21.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 109.914 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.09 -33.41 44.46 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.272 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.13 -17.86 58.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.107 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.6 tp -69.15 -34.38 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.77 88.61 6.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.78 161.33 26.99 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.061 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.289 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 31' ' ' TYR . . . -72.75 95.98 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.048 0.451 . . . . 0.0 110.457 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.733 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 44.2 m -80.06 167.92 19.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.029 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' B' ' 34' ' ' GLU . 59.8 tttp -83.67 88.91 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.4 104.65 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.852 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.3 mt -96.96 117.85 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -176.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.481 ' HE1' HD12 ' B' ' 68' ' ' ILE . 88.1 t80 -98.64 119.58 37.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.007 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.518 ' HB3' HD11 ' B' ' 38' ' ' LEU . 91.5 m-85 -102.17 122.74 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 10.1 p80 -142.5 173.25 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.09 19.57 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.727 0.299 . . . . 0.0 111.212 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.27 64.6 2.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.367 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -133.27 157.49 78.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.05 -33.08 88.72 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.696 2.264 . . . . 0.0 112.107 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -60.88 -36.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.704 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 20.3 m -68.42 -36.53 79.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 -51.04 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.6 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.295 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.65 -51.65 53.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.961 0.41 . . . . 0.0 111.185 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -71.22 -16.4 62.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.082 -173.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.05 -66.47 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 111.397 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -48.81 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.317 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.93 4.94 10.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -107.4 -33.46 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.27 83.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.594 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -93.62 97.2 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.988 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -58.45 133.83 85.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.592 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 29.7 Cg_endo -64.67 -14.37 44.28 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.844 2.363 . . . . 0.0 111.567 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.34 -19.75 38.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.956 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -98.54 -43.48 6.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.511 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 2' ' ' ALA . 90.4 m-85 -136.38 138.77 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.424 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -77.36 100.34 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.49 120.63 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.5 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' B' ' 4' ' ' LYS . 47.7 mt-10 -106.39 121.37 44.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.342 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -87.74 107.38 17.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.071 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.71 117.54 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -88.59 113.09 23.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.039 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 8' ' ' TYR . 52.5 mt -81.66 -15.17 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.049 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.25 -19.81 71.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.532 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -72.43 -47.88 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.44 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 54.2 m-20 -127.27 121.99 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 -176.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -74.73 -18.71 60.46 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.76 -22.02 66.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.505 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.508 ' HG2' ' OE1' ' B' ' 47' ' ' GLU . 72.3 mtt180 -75.52 -18.11 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.957 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.8 -37.02 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.508 ' OE1' ' HG2' ' B' ' 44' ' ' ARG . 42.1 mt-10 -73.48 -33.07 64.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 109.998 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -64.1 -35.18 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.063 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.11 -31.98 73.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.69 175.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 66.3 mttm -69.09 -51.24 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.349 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.35 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.472 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.69 42.8 3.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.912 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.0 t -91.87 119.63 39.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.655 0.264 . . . . 0.0 110.359 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.76 -29.01 17.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.44 . . . . 0.0 110.672 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -140.35 137.98 34.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.895 0.379 . . . . 0.0 111.183 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' B' ' 57' ' ' PRO . 15.6 m -79.02 -161.1 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.55 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.999 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' B' ' 56' ' ' VAL . 0.7 OUTLIER 11.8 92.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 123.531 2.821 . . . . 0.0 114.454 -135.52 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' B' ' 66' ' ' PHE . . . -144.39 175.67 9.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 113.753 -1.567 . . . . 0.0 110.77 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.79 117.48 10.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.05 106.37 20.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 110.285 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.62 92.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.714 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.733 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 13.1 t70 48.65 69.04 0.6 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.611 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.24 -35.66 3.94 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.836 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 111.67 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.31 123.0 34.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.834 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.474 ' O ' ' HB1' ' B' ' 58' ' ' ALA . 67.8 m-85 -129.46 154.94 46.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.547 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.18 139.0 50.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' B' ' 7' ' ' PHE . 60.5 mt -97.08 102.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 91.0 m-20 60.76 -161.16 0.29 Allowed 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -168.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -105.13 94.46 5.25 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 172.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.56 -90.01 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.35 -0.928 . . . . 0.0 110.892 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.2 128.08 21.97 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.116 174.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.75 136.69 50.1 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.115 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.5 tt -65.04 -19.97 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 117.434 0.617 . . . . 0.0 110.187 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.01 -43.93 97.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.053 173.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.65 -26.09 41.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.293 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.929 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.53 106.25 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 110.255 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.71 -22.05 2.17 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.657 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.843 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.076 0.465 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -83.77 85.06 7.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.855 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 12.9 m -62.12 148.51 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.897 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -73.09 101.51 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.027 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -94.86 103.9 15.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.967 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 28.8 mt -96.73 116.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -99.07 114.97 27.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 44.8 m-85 -99.57 119.77 38.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.14 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 6.8 p80 -140.19 162.88 34.21 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.794 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.17 17.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.629 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.02 27.67 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.357 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 28.9 p -97.22 168.33 10.4 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 78.8 Cg_exo -49.88 -39.78 48.88 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.712 2.275 . . . . 0.0 112.823 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.01 -35.09 66.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.088 0.47 . . . . 0.0 110.665 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 84.1 m -69.64 -40.04 76.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.93 -44.75 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 m -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.86 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -79.98 -4.35 52.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 -65.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.459 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.33 -48.0 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.028 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.26 3.46 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -106.63 -28.53 10.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.378 0.609 . . . . 0.0 109.5 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.67 -35.27 67.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.89 92.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.065 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 7.9 p-10 -94.18 153.7 40.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.757 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -59.05 -13.61 19.81 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.67 2.913 . . . . 0.0 114.332 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.02 -33.7 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.977 0.418 . . . . 0.0 110.168 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 54.4 tttp -100.7 -47.69 4.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.729 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 93.7 m-85 -136.31 124.9 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.613 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 19.7 m -81.39 123.84 28.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.039 0.447 . . . . 0.0 111.026 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 39.7 t -102.61 135.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.793 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -108.26 138.73 44.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.121 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.13 118.5 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.578 0.227 . . . . 0.0 110.751 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.8 123.19 70.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -99.41 114.39 27.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.031 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HG11 ' A' ' 56' ' ' VAL . 88.6 mt -88.34 -9.68 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 39.38 3.0 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.324 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.8 m -152.23 -68.24 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.323 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 9.5 t70 -89.7 136.48 33.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.39 -23.41 32.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.64 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.57 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 1.7 mmp_? -52.62 -41.92 64.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.099 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.67 -45.29 95.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -58.65 -43.22 89.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.685 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.51 -40.95 96.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.843 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.38 77.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.871 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.24 -14.51 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 66.4 mttm -85.84 -39.12 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.461 . . . . 0.0 109.802 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.73 -34.86 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.569 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.55 40.17 1.8 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.742 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.39 132.67 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.09 -38.98 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 45.5 m -146.39 167.07 24.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 38' ' ' LEU . 30.7 m -122.94 151.1 60.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.679 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.6 Cg_endo -76.18 155.66 98.48 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 123.213 -1.578 . . . . 0.0 112.929 0.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -125.24 154.66 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.624 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.245 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 58.6 t -91.24 107.44 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 63' ' ' GLY . 49.1 mm -93.49 97.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.587 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 26.2 t70 72.09 -21.98 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.588 0.755 . . . . 0.0 112.224 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.44 -27.84 0.18 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.08 130.5 34.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.9 110.0 22.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.417 . . . . 0.0 111.411 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.86 164.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.891 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.513 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -122.35 149.39 43.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.679 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 mm -111.91 103.63 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' B' ' 67' ' ' HIS . 87.3 m-20 65.36 -168.95 0.2 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.518 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -124.15 84.76 2.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.07 -70.7 1.32 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.252 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 146.28 39.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.464 0.173 . . . . 0.0 110.803 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -87.72 141.08 16.97 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.582 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 tt -69.93 -26.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.864 0.364 . . . . 0.0 111.309 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -76.34 -34.5 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.457 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.29 -25.83 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.468 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -69.12 -13.93 62.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.966 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.18 -32.92 74.85 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.527 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.54 117.58 5.85 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.575 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.178 -179.526 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.78 110.81 4.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.783 0.325 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 59.9 m -84.51 172.93 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 62' ' ' ASP . 28.2 mtpp -71.53 132.39 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.177 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 85.27 2.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.72 120.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -98.33 129.93 45.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.88 130.48 55.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.663 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -158.07 160.75 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.433 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 20.79 15.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.53 89.74 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.443 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.482 ' O ' HG23 ' B' ' 16' ' ' VAL . 23.6 p -156.96 160.17 30.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' B' ' 12' ' ' CYS . 13.9 Cg_endo -57.18 -32.24 92.91 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.521 2.147 . . . . 0.0 112.701 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.72 -45.44 95.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.48 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.858 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 22.0 p -76.41 -23.09 54.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.568 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 12' ' ' CYS . 64.2 t -61.8 -35.72 69.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -61.73 -49.39 76.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.992 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.43 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.919 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.48 -50.01 75.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.301 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -89.14 -1.14 57.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.58 -69.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.596 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.92 -43.7 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.82 -1.18 26.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.269 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -106.15 -16.1 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.637 0.732 . . . . 0.0 109.203 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -80.6 -37.97 30.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.015 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.12 114.17 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 16.3 t70 -64.92 128.06 93.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.449 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 31.5 Cg_exo -60.2 -23.4 73.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.432 2.755 . . . . 0.0 113.997 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.5 p -104.28 -3.69 23.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 52.9 tttp -84.98 -39.42 18.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.714 ' HD1' ' H ' ' B' ' 3' ' ' SER . 60.1 m-85 -140.02 163.35 32.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.0 m -78.38 93.75 4.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.34 112.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.219 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.98 141.93 49.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.832 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.35 115.14 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.17 113.9 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.137 0.494 . . . . 0.0 110.443 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -91.6 111.74 23.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.91 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.58 HD12 HG12 ' B' ' 56' ' ' VAL . 55.9 mt -90.27 -6.99 54.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.791 -177.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.56 38.74 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.566 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -156.68 -45.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 109.791 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.618 ' HB3' ' HD2' ' B' ' 44' ' ' ARG . 14.2 t70 -109.7 122.32 47.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.425 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.13 -20.29 41.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.165 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.27 79.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.096 0.474 . . . . 0.0 110.137 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.618 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 67.1 mtt85 -60.15 -32.34 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.232 175.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -44.52 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.07 0.462 . . . . 0.0 110.063 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -10.58 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.11 -36.06 12.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 110.137 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.78 87.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.25 -16.62 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.529 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -77.07 -51.92 10.22 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.02 -33.89 75.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.17 33.96 1.42 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.261 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.73 104.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -77.81 -30.43 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.587 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 p -151.46 154.8 37.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.611 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.6 m -71.94 -167.39 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.448 174.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.858 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 6.6 Cg_exo 12.57 91.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.057 3.171 . . . . 0.0 115.383 -136.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.81 154.51 37.42 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.635 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tt -131.55 129.36 40.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 109.962 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.89 111.74 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -99.09 118.66 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' HD3' ' B' ' 4' ' ' LYS . 26.6 t70 67.31 -68.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.959 0.904 . . . . 0.0 111.353 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.62 19.12 0.16 Allowed Glycine 0 C--N 1.312 -0.752 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.2 132.46 53.0 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.53 115.79 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.305 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -115.14 114.25 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.039 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 58' ' ' ALA . 72.1 m80 -72.35 131.1 42.19 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.315 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 43.0 mm -92.25 99.31 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.8 m-20 66.07 -171.45 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -100.11 101.22 12.21 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.92 0.1 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.288 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.13 132.33 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.398 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' B' ' 77' ' ' LEU . . . -58.61 124.69 37.36 Favored Glycine 0 C--O 1.229 -0.219 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.642 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.3 tt -67.65 -25.0 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 117.155 0.477 . . . . 0.0 111.289 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.05 -30.06 39.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.1 -24.2 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.708 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 73' ' ' GLY . 93.8 mt -70.9 -11.87 61.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.05 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.98 -13.39 60.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.482 0.658 . . . . 0.0 109.319 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.03 77.12 1.89 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.73 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.015 0.436 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.48 80.88 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.71 140.84 29.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -79.15 112.04 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.357 0.598 . . . . 0.0 111.326 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -108.62 106.79 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.557 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.01 116.04 36.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 110.3 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 61.2 t80 -100.79 98.51 9.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 54.6 m-85 -86.05 108.19 18.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.963 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 8.2 p80 -119.62 161.49 20.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.738 0.304 . . . . 0.0 110.69 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.32 -4.64 31.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.285 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.56 89.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.35 157.08 83.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.25 -41.49 50.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.185 2.59 . . . . 0.0 112.624 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.27 -38.03 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 9' ' ' HIS . 61.1 m -66.95 -37.11 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.142 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 60.2 t -64.13 -47.35 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.434 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 m -59.57 -39.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 26.8 tt0 -68.5 -47.69 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 96.4 mt-30 -58.32 -35.34 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.592 -177.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.68 -65.74 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.01 -48.07 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -70.87 -14.02 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' HE2' ' B' ' 30' ' ' LYS . 18.5 m-80 -103.04 -3.6 25.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.301 175.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' HE1' ' B' ' 31' ' ' TYR . . . -88.26 -31.62 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.242 0.544 . . . . 0.0 109.675 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.17 96.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.268 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 9.3 m-20 -58.37 130.83 84.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.077 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 34.6 Cg_exo -61.73 -15.45 42.36 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.247 2.631 . . . . 0.0 112.95 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -88.41 -23.65 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 0.0 110.014 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -79.12 -47.77 15.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 94.0 m-85 -140.01 138.0 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.931 173.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -75.97 101.68 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 0.0 111.603 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.0 131.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -114.92 104.19 11.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.936 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.96 119.52 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.385 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 59.1 t -128.96 125.64 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -85.68 119.8 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.4 tp -110.55 4.16 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 110.582 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.76 -31.86 42.99 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -93.84 -41.46 9.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.011 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -76.36 101.78 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.069 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -83.05 -10.56 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -33.56 32.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.892 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -76.26 4.02 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.26 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.76 -33.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.18 75.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.012 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 32.0 tt0 -73.32 -26.88 61.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.18 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.818 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.66 -28.11 68.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.243 0.544 . . . . 0.0 110.358 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 47' ' ' GLU . 62.0 tttm -70.61 -38.79 74.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.113 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.17 -35.05 14.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.623 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.11 20.84 5.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.984 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.07 107.58 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -100.7 -16.62 17.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -154.05 165.23 36.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.7 145.07 48.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.559 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.08 145.79 55.98 Favored 'Cis proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.12 -1.617 . . . . 0.0 112.766 0.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.53 126.56 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.837 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -101.1 101.97 12.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.4 t -85.47 97.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' GLY . 58.9 mt -90.39 107.26 18.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.019 -177.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 72.87 -23.22 0.21 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.728 0.642 . . . . 0.0 111.759 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 152.53 -10.85 0.62 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.94 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.06 117.55 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -83.63 113.26 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.387 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -104.53 108.06 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.214 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 56.4 m80 -79.32 117.53 20.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.182 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.71 98.87 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.687 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 68.52 121.23 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.928 0.767 . . . . 0.0 111.195 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -72.43 96.9 1.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.958 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.32 -61.93 1.3 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 134.88 33.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.4 159.02 23.13 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.715 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.91 -32.25 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.81 -32.91 74.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.0 110.73 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.08 -42.94 36.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.878 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.76 -25.63 53.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.323 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -107.6 18.92 20.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.583 0.706 . . . . 0.0 110.137 -176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.04 166.47 46.53 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.101 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.514 -178.418 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.703 0.287 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.96 91.27 3.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' B' ' 31' ' ' TYR . 17.1 m -64.47 151.51 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.301 -175.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 1.6 tpmt? -61.38 139.56 58.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.237 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' B' ' 33' ' ' VAL . . . -141.72 97.4 3.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.2 mm -104.3 117.58 50.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -100.56 121.87 42.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.316 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 83.1 m-85 -102.64 129.36 49.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.347 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.919 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 28.5 p80 -150.11 172.38 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.843 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.09 -7.01 11.92 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.06 -3.16 55.34 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.155 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.524 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 58.2 m -66.28 163.9 35.22 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.259 0.224 . . . . 0.0 110.525 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 6.6 Cg_endo -49.09 -42.72 38.45 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.22 2.613 . . . . 0.0 112.831 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.28 -34.31 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.162 0.506 . . . . 0.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 33.5 m -66.28 -40.55 90.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.389 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.41 -50.79 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.763 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.71 -44.02 90.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.52 65.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.478 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 19.2 tt0 -64.17 -33.2 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 110.631 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.31 -63.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.352 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 -49.11 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -171.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.522 HG21 HG21 ' B' ' 68' ' ' ILE . 44.3 t -68.06 -41.2 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -171.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.43 -22.72 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -98.29 -3.86 36.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -88.47 -43.45 11.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.656 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -75.62 125.72 35.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 14.5 t70 -69.98 124.8 91.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.362 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -11.72 31.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.205 2.604 . . . . 0.0 113.23 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -99.6 -9.29 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.41 0.624 . . . . 0.0 109.642 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.514 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 36.9 tttp -93.54 -45.66 7.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.223 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' B' ' 3' ' ' SER . 93.8 m-85 -129.03 149.17 50.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.647 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.7 m -86.93 92.2 8.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.012 0.434 . . . . 0.0 110.067 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' B' ' 5' ' ' ALA . 40.2 t -84.48 115.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.021 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -121.86 134.78 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -97.59 125.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.518 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' B' ' 8' ' ' TYR . 90.1 t -121.96 127.84 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.26 124.18 31.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.12 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 tp -126.33 108.87 11.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.196 0.522 . . . . 0.0 109.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.71 -58.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.082 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -80.66 -10.04 59.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.629 0.728 . . . . 0.0 109.842 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -103.6 106.55 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.971 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -88.84 -9.46 51.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.95 -49.73 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 0.0 111.067 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -82.25 10.14 7.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.981 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.489 HG23 HD11 ' B' ' 74' ' ' ILE . 55.3 mt -61.72 -37.01 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 171.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.93 -29.84 70.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.942 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.83 -40.72 83.75 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.925 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.14 -40.08 88.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.98 -29.24 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.915 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 97.8 mttt -71.43 -41.7 69.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 110.626 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.3 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.67 23.2 8.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.919 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.3 t -81.94 102.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.16 -16.6 32.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.249 0.547 . . . . 0.0 110.662 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.9 m -148.34 143.35 26.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.788 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.579 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 10.2 m -71.72 -169.23 0.11 Allowed Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.919 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 16.09 86.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 0 C-N-CA 123.792 2.995 . . . . 0.0 115.009 -135.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.6 152.77 30.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.093 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tt -123.49 128.11 49.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 35.7 t -98.24 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.566 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.35 101.67 12.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.931 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' HA ' ' HB3' ' B' ' 4' ' ' LYS . 27.5 t70 66.0 -70.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.099 0.96 . . . . 0.0 111.585 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.38 8.05 1.84 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.981 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.79 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -87.46 120.6 28.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -114.63 120.38 39.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.131 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.431 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.2 m80 -77.49 118.97 20.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.907 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.522 HG21 HG21 ' B' ' 22' ' ' VAL . 58.6 mt -108.05 94.91 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 66.22 118.2 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.14 0 O-C-N 124.084 0.865 . . . . 0.0 109.649 -170.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -55.06 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.992 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.37 -90.83 0.29 Allowed Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.534 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.559 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.73 136.35 34.09 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.252 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.94 134.57 17.37 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.298 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.489 HD11 HG23 ' B' ' 45' ' ' ILE . 14.9 tt -68.44 -24.29 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.315 0.579 . . . . 0.0 109.625 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' B' ' 78' ' ' LYS . 4.5 m-20 -63.39 -25.64 68.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.922 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -74.17 -36.35 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.57 -25.64 57.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' B' ' 75' ' ' ASP . 52.5 mttm -70.12 102.35 2.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.857 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.47 54.38 4.33 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.454 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.248 1.006 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.517 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.48 124.98 34.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.547 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.38 155.72 19.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -89.7 138.82 31.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.085 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.11 113.25 21.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.229 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mt -95.12 121.35 45.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.638 ' HD2' HG23 ' A' ' 35' ' ' ILE . 73.6 t80 -104.1 102.73 12.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -89.94 122.74 33.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.275 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 11.6 p80 -133.79 175.28 9.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.628 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.95 19.39 10.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.331 -177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.88 19.92 78.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.893 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.6 151.54 61.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.61 -38.86 84.39 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.727 2.284 . . . . 0.0 112.308 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -60.67 -35.7 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.873 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 35.2 m -65.56 -39.81 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.15 -40.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -63.6 -37.65 88.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.675 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.53 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.591 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.4 tt0 -64.06 -43.02 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.036 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.86 -22.02 46.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.056 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.27 -67.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.54 -44.44 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.328 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -74.82 -4.27 36.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.568 -177.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -101.73 -15.08 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 110.4 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.64 -32.95 20.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.354 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.06 108.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.531 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.673 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 7.7 t70 -70.44 129.54 90.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.77 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 32.2 Cg_exo -59.8 -18.47 49.08 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.266 2.644 . . . . 0.0 112.996 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -76.72 -17.79 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.462 . . . . 0.0 110.362 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -104.06 -44.65 4.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.365 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 82.7 m-85 -138.18 141.62 40.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.467 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.5 m -90.58 108.26 19.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.058 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -84.16 111.99 20.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.12 106.32 15.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.004 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 7' ' ' PHE . 64.2 mt -89.87 123.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.58 127.71 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -76.99 106.43 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 33.4 tp -76.65 -12.03 59.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.987 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.22 -8.09 75.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.246 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -85.7 -40.85 15.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -116.0 121.59 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.69 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.12 -25.43 34.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.34 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.991 0.424 . . . . 0.0 110.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.51 -24.06 65.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.505 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 69.9 mt -62.12 -43.16 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.205 0.526 . . . . 0.0 109.665 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.14 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.697 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.36 -42.06 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.107 0.479 . . . . 0.0 109.883 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -60.68 -35.25 75.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.168 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.96 -25.0 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -82.16 -26.66 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.346 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.65 16.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.804 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.65 24.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.954 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.5 t -86.4 125.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -123.78 -10.32 7.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.391 . . . . 0.0 110.945 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.469 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 30.2 m -152.41 172.73 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.013 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.01 144.1 51.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.591 0.234 . . . . 0.0 110.54 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.33 157.6 78.39 Favored 'Cis proline' 0 C--N 1.343 0.288 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.72 -0.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.0 tp -98.99 100.73 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.793 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.6 t -90.34 96.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.547 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.44 98.19 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 65.68 4.31 2.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.906 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.66 -30.62 2.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.09 114.37 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.53 112.49 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' B' ' 68' ' ' ILE . 83.3 m-85 -106.79 111.01 23.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.183 177.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 53.4 m80 -77.32 108.39 10.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.312 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.426 HD12 ' HE1' ' A' ' 7' ' ' PHE . 62.9 mt -85.35 102.51 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.87 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 64.77 102.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.32 104.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.139 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.84 -60.53 0.97 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 162.73 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -91.95 166.67 30.08 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.536 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.0 tt -72.44 -17.11 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.582 0.706 . . . . 0.0 109.608 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -80.57 -24.35 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.86 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.49 -27.45 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.16 0.505 . . . . 0.0 109.945 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.73 -24.11 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.369 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.07 -21.38 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.77 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.7 131.48 11.48 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.645 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.441 -179.678 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.94 122.64 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.789 0.328 . . . . 0.0 111.668 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -82.9 153.29 25.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' B' ' 6' ' ' ILE . 54.5 pttt -87.23 136.59 32.87 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.284 -175.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.4 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -111.73 121.28 44.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.68 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.53 HD11 ' HE3' ' B' ' 4' ' ' LYS . 36.7 mt -95.69 120.09 44.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.12 0.486 . . . . 0.0 110.863 -171.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -100.23 104.23 15.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.803 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -91.78 122.99 34.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.311 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.818 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.0 p80 -144.1 178.35 7.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.87 9.56 6.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.655 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.99 -24.59 17.5 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.284 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -51.57 147.74 10.6 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.388 0.275 . . . . 0.0 111.174 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.1 -30.03 23.86 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.495 2.797 . . . . 0.0 113.744 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.57 -36.81 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.1 m -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.086 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.57 -42.6 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.868 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -59.67 -47.88 83.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.79 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.653 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.11 -53.19 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.98 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.23 -51.97 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.659 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -54.57 6.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.0 -37.39 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.21 -13.72 61.2 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -96.59 -22.88 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.288 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.31 30.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.034 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -84.34 122.37 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.016 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.5 ' HB2' ' HG3' ' B' ' 30' ' ' LYS . 30.5 m-20 -75.19 131.66 77.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.709 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 36.0 Cg_exo -61.3 -17.15 51.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.812 2.342 . . . . 0.0 111.901 175.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -73.82 -27.2 61.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.64 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.673 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 67.0 mttm -83.84 -49.87 8.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.367 0.603 . . . . 0.0 109.547 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 98.0 m-85 -136.2 132.93 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.72 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -75.63 112.41 11.96 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.47 109.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 0.0 110.479 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.19 103.91 15.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.909 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.71 123.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' B' ' 44' ' ' ARG . 54.3 t -125.66 120.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 110.944 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -92.8 99.31 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.995 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.532 HD12 HG12 ' B' ' 56' ' ' VAL . 51.0 mt -80.91 -1.26 42.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.13 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.85 -3.02 88.3 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.054 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 -55.17 2.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.056 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.14 121.14 37.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.237 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' B' ' 45' ' ' ILE . 89.3 mttt -89.72 -18.84 25.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.506 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -62.65 -48.5 79.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.837 0.351 . . . . 0.0 110.748 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.671 ' HG2' HG11 ' B' ' 36' ' ' VAL . 0.7 OUTLIER -67.98 -26.94 66.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 42' ' ' LYS . 61.8 mt -58.18 -54.41 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.747 0.308 . . . . 0.0 110.797 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.57 77.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.546 ' CD ' HH21 ' B' ' 44' ' ' ARG . 40.3 mt-10 -66.92 -41.31 87.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.31 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.17 90.09 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.1 -42.53 76.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.65 -18.73 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.77 -30.94 51.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.42 5.68 7.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.43 111.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -90.12 -25.56 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.401 -174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -149.39 156.55 42.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.943 0.401 . . . . 0.0 111.65 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.585 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 9.1 m -79.02 -167.66 0.14 Allowed Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.818 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.9 OUTLIER 12.71 84.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 123.607 2.871 . . . . 0.0 114.544 -135.641 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.427 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -144.83 147.95 33.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.886 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.4 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 tt -119.43 112.34 19.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 47.2 t -90.89 102.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.217 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.85 95.65 5.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.183 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 45.87 75.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.22 -38.78 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.321 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.79 38.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.052 0.426 . . . . 0.0 111.13 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.54 118.43 30.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.468 . . . . 0.0 111.329 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.53 103.37 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.148 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.59 127.34 32.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.061 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 47.3 mm -97.73 93.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 68' ' ' ILE . 87.0 m-20 71.14 171.96 0.32 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.127 -168.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -91.06 92.03 8.54 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.21 -96.07 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.462 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.71 132.48 29.09 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.601 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.75 128.26 44.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.559 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.89 -23.76 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.43 0.633 . . . . 0.0 110.407 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -76.92 -32.26 57.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.934 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -21.26 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.906 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.19 -17.12 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.595 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -67.65 -40.57 84.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.108 0.48 . . . . 0.0 109.97 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.76 66.69 1.74 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.796 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.073 177.63 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.808 0.337 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.97 127.0 47.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.121 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.637 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 19.3 p -84.32 -160.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -120.63 153.66 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.511 0.672 . . . . 0.0 112.296 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.22 116.34 16.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.413 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 13.4 mt -102.77 118.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.607 ' HB3' HG12 ' A' ' 35' ' ' ILE . 64.3 t80 -97.07 114.08 25.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.267 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 38' ' ' LEU . 89.2 m-85 -101.38 128.64 47.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.349 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -149.12 178.1 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.411 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.74 10.61 9.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.92 -15.43 60.8 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.602 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 44.3 t -57.59 136.25 82.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.434 0.294 . . . . 0.0 110.805 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 78.7 Cg_exo -48.53 -23.91 5.85 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.689 2.926 . . . . 0.0 114.128 -175.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.5 -34.48 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.065 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -77.1 -26.82 53.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.585 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.18 -47.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -57.62 -47.42 82.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.205 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.07 91.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.749 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.43 -54.75 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.985 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.4 -20.8 65.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.629 -174.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.19 -65.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.713 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 t -80.27 -50.74 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.78 -171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.45 -26.86 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.943 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -81.14 -24.65 37.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.234 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.64 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.051 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.7 109.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.58 138.09 88.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 44.1 Cg_endo -69.0 -3.25 11.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.95 2.434 . . . . 0.0 112.184 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -95.59 -14.29 23.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.11 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -98.14 -39.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.294 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 61.8 m-85 -141.72 146.47 36.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.821 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -77.75 98.59 5.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.429 . . . . 0.0 110.383 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -81.52 118.47 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.409 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 32.9 tt0 -124.21 126.91 46.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.607 HG12 ' HB3' ' A' ' 7' ' ' PHE . 64.9 mt -115.21 133.14 62.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.7 124.47 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.882 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.83 108.37 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.054 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 8' ' ' TYR . 91.1 mt -87.73 -20.2 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.246 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 34.05 2.39 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.815 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -144.08 -57.87 0.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.023 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.28 118.43 32.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.009 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.41 -30.77 70.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.186 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.9 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.931 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -75.6 -21.48 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.921 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.04 -34.33 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.078 0.466 . . . . 0.0 109.824 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.24 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.566 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.71 -38.72 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.167 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -64.12 -43.72 94.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.654 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.97 -42.32 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.684 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.08 -28.59 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.463 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.87 53.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.35 20.95 33.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 60.6 t -77.98 111.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.973 0.416 . . . . 0.0 110.098 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.64 -30.22 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.2 m -147.78 166.4 27.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.27 146.78 43.45 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.334 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.36 150.54 51.23 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.292 -1.545 . . . . 0.0 112.932 0.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -135.35 125.95 26.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 tt -102.44 109.33 20.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.5 t -94.85 106.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.5 mt -90.12 99.04 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.637 ' OD1' ' HB2' ' A' ' 3' ' ' SER . 63.8 m-20 65.47 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 111.77 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.86 10.7 4.24 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.65 116.59 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 110.448 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -93.29 117.5 30.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 -176.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.435 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 95.5 m-85 -111.59 104.42 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 75.7 m80 -73.5 115.92 13.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.578 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.1 mt -88.84 95.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 66.65 -169.3 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.004 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -130.15 106.69 8.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 110.806 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.16 -67.09 0.83 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.574 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.67 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.57 166.02 41.19 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 17.4 tt -66.31 -31.01 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 117.01 0.405 . . . . 0.0 110.754 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 1.2 m-20 -75.36 -22.77 57.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -69.92 -27.62 64.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 109.68 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.19 -26.94 32.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.359 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 88.9 mttt -70.04 -58.82 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.95 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.47 -152.77 17.95 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.799 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.431 178.3 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.734 0.302 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.84 140.08 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.18 161.32 22.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.973 0.416 . . . . 0.0 110.939 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.501 ' HD2' HD11 ' B' ' 6' ' ' ILE . 34.6 ttpt -92.1 133.1 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.774 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.597 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -128.29 112.11 14.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.501 HD11 ' HD2' ' B' ' 4' ' ' LYS . 42.7 mm -99.3 122.45 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.95 0.405 . . . . 0.0 110.947 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.407 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.8 t80 -99.15 122.29 42.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.771 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -105.76 132.58 51.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.876 0.369 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.854 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 4.7 p80 -144.05 176.64 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.48 16.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.78 -108.4 0.57 Allowed Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 119.828 -1.177 . . . . 0.0 112.198 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HD3' ' B' ' 13' ' ' PRO . 49.9 t -176.08 -55.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.846 -175.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' B' ' 12' ' ' CYS . 75.8 Cg_exo -50.34 -65.02 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 122.5 2.134 . . . . 0.0 113.589 -171.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.71 -24.74 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 110.31 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 25.3 m -66.93 -46.48 74.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.182 -175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.07 -30.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -61.6 -52.4 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.477 . . . . 0.0 109.905 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.75 70.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -67.7 -41.3 83.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -96.46 -2.82 44.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.21 -61.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.475 HG11 HD13 ' B' ' 68' ' ' ILE . 56.7 t -70.09 -50.34 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.293 . . . . 0.0 111.085 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -6.71 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.073 0.463 . . . . 0.0 111.041 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -95.04 -27.72 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.328 0.585 . . . . 0.0 109.65 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -78.92 -37.64 39.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.564 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.42 121.54 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.9 t70 -73.33 124.64 90.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.794 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 39.5 Cg_exo -61.75 -23.2 75.88 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.312 2.675 . . . . 0.0 113.451 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -85.87 -10.94 54.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.991 0.424 . . . . 0.0 110.193 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.64 -46.43 6.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -127.8 121.0 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.565 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.67 96.06 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 61.9 t -83.18 118.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.85 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -119.28 124.87 47.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.407 HG23 ' HD2' ' B' ' 7' ' ' PHE . 69.9 mt -94.88 127.62 46.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 -174.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.54 129.06 76.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.518 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -91.04 122.32 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.31 8.33 35.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.97 29.86 6.65 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.033 -174.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -155.18 -67.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.79 0.295 . . . . 0.0 110.739 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.54 122.65 19.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 45' ' ' ILE . 54.0 mttp -83.02 -25.6 32.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.81 88.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.135 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -75.73 -23.61 56.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.395 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 42' ' ' LYS . 73.0 mt -65.01 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.15 -36.55 82.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.617 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.86 -40.94 92.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -55.81 -44.03 77.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.321 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.66 -46.67 67.28 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 26.2 mttm -84.35 -17.97 37.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.956 -171.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.95 -30.25 24.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.011 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.27 -2.0 11.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.372 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.51 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 28.3 t -81.04 105.46 11.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.43 -6.16 19.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 30.2 m -150.37 145.42 26.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.52 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.64 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.5 m -77.04 -172.2 0.29 Allowed Pre-proline 0 C--O 1.238 0.461 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.854 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.19 88.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 124.11 3.207 . . . . 0.0 115.241 -137.259 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.94 158.51 44.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.731 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -124.48 121.02 33.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.803 0.335 . . . . 0.0 110.74 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.2 t -94.82 101.22 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' B' ' 63' ' ' GLY . 64.3 mt -92.48 109.71 21.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 72.5 -28.54 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.972 0.909 . . . . 0.0 112.084 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 165.17 -23.46 0.15 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.11 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.72 0.295 . . . . 0.0 110.618 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.74 121.17 30.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.59 114.63 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 61.7 m80 -75.82 130.02 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.475 HD13 HG11 ' B' ' 22' ' ' VAL . 64.2 mt -116.07 102.08 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -174.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 60.8 m-20 60.11 98.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.917 0.76 . . . . 0.0 109.455 -170.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.93 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.222 0.951 . . . . 0.0 111.968 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.57 -90.07 0.32 Allowed Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.209 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.65 121.2 15.18 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.474 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.17 158.1 53.51 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.27 -41.35 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.735 0.302 . . . . 0.0 110.622 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -29.32 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.455 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -76.91 -44.5 31.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -31.85 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.87 -48.28 22.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.686 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.55 -60.06 3.69 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.876 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.427 175.915 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.759 0.314 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -104.41 61.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.156 0.503 . . . . 0.0 109.923 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -87.95 -179.83 6.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.794 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HE2' HG12 ' A' ' 6' ' ' ILE . 85.8 tttt -82.66 134.57 35.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.315 0.579 . . . . 0.0 111.636 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -120.94 110.49 16.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.093 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.739 HG12 ' HE2' ' A' ' 4' ' ' LYS . 1.4 mt -99.39 114.19 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.635 0.255 . . . . 0.0 110.893 -172.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' ILE . 50.0 t80 -100.72 108.61 20.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 0.0 110.599 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -100.4 126.41 46.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.106 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 p80 -150.94 -177.48 6.03 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.875 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.85 17.4 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 15.0 81.45 Favored Glycine 0 C--O 1.231 -0.08 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.033 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.81 154.69 87.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.64 -34.37 73.35 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.883 2.388 . . . . 0.0 112.126 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.436 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 17.2 m -69.33 -34.59 74.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.396 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.16 -47.68 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.569 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t -59.8 -44.01 94.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.244 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 33.0 tt0 -67.16 -49.69 63.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -77.44 -9.81 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 -57.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.94 -47.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.743 0.306 . . . . 0.0 110.726 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -75.54 -3.09 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.649 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -88.97 -34.91 16.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 26' ' ' ILE . . . -75.35 -33.9 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.509 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.28 94.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.662 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 39.5 m-20 -60.79 138.27 93.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.505 -176.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 23.6 Cg_exo -65.05 -15.73 51.86 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.995 2.463 . . . . 0.0 112.037 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 m -89.22 -19.51 25.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 57.1 tttp -88.35 -42.01 12.48 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 72.8 m-85 -134.06 146.65 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.921 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -82.79 91.49 7.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.076 0.465 . . . . 0.0 110.256 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 42.7 t -83.91 116.0 27.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.387 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 7' ' ' PHE . 63.5 mt -99.13 126.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.664 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.08 130.23 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.298 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -95.04 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.06 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.28 -19.02 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.5 5.23 84.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 m -103.12 -28.67 11.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.681 0.276 . . . . 0.0 111.256 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 27.1 t70 -136.88 148.6 47.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 0.0 111.752 -172.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.6 -39.19 24.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.669 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.65 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.271 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 32.1 mmt180 -58.22 -30.33 66.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.568 178.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.17 -44.01 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.122 0.487 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.26 75.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -73.65 -39.56 64.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.433 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.0 -42.32 98.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.484 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.99 -22.78 66.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.311 . . . . 0.0 111.171 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -82.78 -41.17 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.15 86.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.027 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.96 3.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.578 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 51.7 t -87.8 105.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.94 -21.1 15.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m -144.56 167.53 22.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.363 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.37 143.91 46.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.8 0.333 . . . . 0.0 110.726 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -86.35 154.01 50.1 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.24 -1.567 . . . . 0.0 112.929 -1.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -134.32 130.59 37.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.761 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 61' ' ' ILE . 1.5 tt -111.61 111.67 22.83 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.2 t -85.26 95.96 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.898 178.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.516 HG12 HD22 ' A' ' 59' ' ' LEU . 57.7 mt -90.55 114.04 27.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 72.02 -14.66 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.702 0.626 . . . . 0.0 111.758 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.84 -19.86 2.36 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.153 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.69 132.11 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.607 0.242 . . . . 0.0 110.558 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -87.29 126.66 34.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.002 0.43 . . . . 0.0 111.508 -176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.49 109.69 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.534 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.0 m80 -74.15 121.8 21.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.746 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.17 100.62 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 68.0 108.26 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.799 0.687 . . . . 0.0 110.769 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.26 94.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.7 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.95 -71.21 1.26 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.691 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.3 47.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.586 0.231 . . . . 0.0 110.793 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.61 141.87 16.36 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.483 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.1 tt -69.41 -23.56 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.222 0.535 . . . . 0.0 110.516 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.709 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 27.7 t70 -67.85 -26.03 65.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.585 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -78.1 -17.13 57.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.573 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.13 6.55 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 94.0 mttt -90.78 -16.0 29.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.34 173.25 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.62 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.297 179.165 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' B' ' 31' ' ' TYR . . . -145.9 -50.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.617 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' B' ' 32' ' ' THR . 50.5 m 56.42 -157.81 0.26 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -134.23 126.48 29.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.418 0.628 . . . . 0.0 111.205 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -118.55 100.62 7.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.152 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 48.2 mt -99.04 119.86 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.463 . . . . 0.0 111.378 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -98.44 120.46 38.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.924 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -105.01 130.87 53.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.457 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 5.0 p80 -159.56 179.85 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.904 0.383 . . . . 0.0 111.117 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.67 24.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.24 23.0 64.1 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.879 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' B' ' 16' ' ' VAL . 14.3 m -77.58 147.27 74.76 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.25 -29.46 57.27 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.651 2.234 . . . . 0.0 112.414 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.53 -51.08 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.278 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 6.4 p -75.57 -20.63 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.308 -176.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.606 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 88.5 t -59.87 -53.23 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.0 m -61.06 -35.34 76.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.741 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 30.4 tt0 -68.91 -30.91 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 67.2 mt-30 -83.15 -20.33 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.536 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 -61.51 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.925 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.59 HG11 HD13 ' B' ' 68' ' ' ILE . 40.0 t -66.57 -40.32 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.666 0.27 . . . . 0.0 111.003 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.62 -8.38 55.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.333 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -105.99 -9.09 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.441 173.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -84.85 -44.93 12.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 25' ' ' ALA . 71.6 mt -78.85 106.89 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 14.5 t70 -58.85 122.82 64.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -173.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 27.4 Cg_exo -63.03 -17.51 60.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.261 2.641 . . . . 0.0 113.167 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -103.09 -7.22 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.407 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 45.3 tttp -88.72 -37.82 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.369 175.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' B' ' 2' ' ' ALA . 59.3 m-85 -135.72 140.06 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.775 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 3' ' ' SER . 54.8 m -70.45 95.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.0 110.353 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -80.4 114.9 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 5.9 tp10 -119.47 124.48 46.6 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.6 124.49 63.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.905 0.383 . . . . 0.0 111.312 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -107.67 123.84 63.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.83 119.99 39.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.007 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.9 mt -71.53 -15.0 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -20.95 76.96 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.659 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -83.05 -59.69 2.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.602 ' HB2' ' HG2' ' B' ' 44' ' ' ARG . 56.6 m-20 -124.22 117.63 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.061 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.85 -16.06 62.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.212 0.53 . . . . 0.0 109.96 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.93 65.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.602 ' HG2' ' HB2' ' B' ' 41' ' ' ASP . 42.8 mmt180 -70.81 -13.59 62.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.297 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 73.0 mt -61.01 -51.25 75.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 110.817 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.02 74.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.148 0.499 . . . . 0.0 110.785 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.551 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 48.1 mt-10 -67.15 -42.12 84.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.374 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.25 86.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.672 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 38.7 mt-10 -62.89 -35.98 81.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.643 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -67.64 -30.83 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.097 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 -6.15 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 111.36 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.72 17.89 43.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.116 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 93.6 t -85.92 118.84 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.437 ' O ' HG22 ' B' ' 74' ' ' ILE . 97.2 mttt -101.63 -18.84 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.7 m -144.69 146.16 32.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.631 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.12 -171.49 0.22 Allowed Pre-proline 0 C--O 1.237 0.416 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.631 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.2 Cg_exo 14.53 88.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.33 0 C-N-CA 124.289 3.326 . . . . 0.0 115.561 -136.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.56 155.48 39.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.802 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.4 tt -127.16 128.7 46.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.028 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -103.87 113.11 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -90.75 105.98 16.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 62.29 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.832 0.707 . . . . 0.0 111.21 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.71 10.05 4.28 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.113 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.64 119.08 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.768 0.318 . . . . 0.0 110.406 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.09 117.35 29.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -114.75 107.19 15.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.566 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 63.7 m80 -72.37 116.66 13.07 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.59 HD13 HG11 ' B' ' 22' ' ' VAL . 61.9 mt -100.36 99.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -172.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.31 100.27 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.982 0.802 . . . . 0.0 109.333 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -39.64 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 124.337 1.023 . . . . 0.0 111.892 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.02 -94.79 0.25 Allowed Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.739 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.68 150.25 44.66 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.398 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.423 ' HA3' ' OD1' ' B' ' 76' ' ' ASP . . . -63.85 127.62 36.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.599 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 54' ' ' LYS . 13.4 tt -73.14 -27.18 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.102 0.477 . . . . 0.0 110.511 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 18.0 t70 -80.19 -22.34 42.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.505 0.669 . . . . 0.0 109.463 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.423 ' OD1' ' HA3' ' B' ' 73' ' ' GLY . 4.5 m-20 -72.42 -30.17 64.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.346 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.85 -16.01 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 94.3 mttt -73.18 97.24 2.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.08 -64.84 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.004 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.589 179.187 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.676 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -101.66 79.95 1.99 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.291 0.567 . . . . 0.0 109.69 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.428 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 68.9 m -84.99 177.65 7.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.681 -174.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -104.83 128.0 52.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -119.62 117.61 28.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.225 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.91 114.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.097 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -100.33 106.48 18.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.665 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -92.78 129.74 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.719 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 27.4 p80 -155.42 173.28 16.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.865 173.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.22 -8.21 13.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.9 -7.25 57.23 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.635 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HG ' ' HG ' ' A' ' 15' ' ' CYS . 23.0 p -65.45 159.3 68.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.143 0.471 . . . . 0.0 110.568 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.99 -41.02 26.21 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.364 2.709 . . . . 0.0 113.422 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.65 -38.44 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 110.779 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 67.2 m -71.65 -39.81 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.71 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.939 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 110.82 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.93 77.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.51 -46.8 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.838 -176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.63 -69.49 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.828 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.83 -48.82 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.497 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.14 -3.44 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 111.581 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -103.4 -27.54 12.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 0.0 109.774 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.13 55.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -73.19 131.73 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.33 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 12.5 t70 -66.37 123.63 85.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.507 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.15 -25.81 81.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.176 2.584 . . . . 0.0 113.516 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.4 m -93.72 -16.23 24.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 110.619 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 88.2 tttt -85.34 -33.67 22.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.999 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 3' ' ' SER . 24.0 m-85 -137.1 125.25 23.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.45 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -74.83 93.52 2.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -92.72 108.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -175.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -106.25 127.88 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.9 mt -96.62 134.37 34.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.0 t -118.52 115.06 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.987 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -92.18 106.29 18.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.821 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.56 -16.02 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.396 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.73 -12.21 83.07 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.546 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.0 m -83.29 -44.94 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HB3' ' HG3' ' A' ' 44' ' ' ARG . 16.6 t0 -139.18 132.04 29.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -77.19 -23.93 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.327 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.46 64.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.908 0.385 . . . . 0.0 110.691 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 9.8 mtp180 -75.05 -17.71 60.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.552 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.2 -38.16 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.122 0.487 . . . . 0.0 109.926 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -63.56 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.131 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 45.4 mt-10 -62.04 -33.05 73.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.717 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.96 -46.62 86.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.32 -34.02 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.953 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 65.1 mttm -64.97 -39.44 93.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.544 178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.09 -19.82 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.284 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.43 24.05 8.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.544 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -85.32 114.55 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -98.2 -22.19 16.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.238 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -146.28 163.02 36.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.28 144.61 36.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.684 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 93.2 Cg_endo -85.91 156.66 57.03 Favored 'Cis proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.195 -1.585 . . . . 0.0 112.991 -0.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -137.5 131.0 31.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.3 tt -103.51 107.5 18.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -89.91 107.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.213 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -103.75 107.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.27 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.14 29.41 16.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.693 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.62 -19.01 37.05 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.67 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.67 111.72 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.456 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.39 107.43 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.056 0.455 . . . . 0.0 111.033 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.98 102.3 14.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.083 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -69.57 129.04 38.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.659 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' B' ' 66' ' ' PHE . 53.2 mt -108.6 97.09 5.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 69.12 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.877 0.736 . . . . 0.0 111.016 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -68.65 95.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.34 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.45 -65.07 1.11 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.648 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.53 137.76 35.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.549 0.214 . . . . 0.0 110.673 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.43 149.41 30.45 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.449 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.43 -28.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.28 0.562 . . . . 0.0 110.391 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.28 -33.28 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.949 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.57 -17.98 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.804 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.88 -23.17 42.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.0 163.59 22.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.29 -56.13 0.58 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.638 -177.359 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.308 0.575 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.36 90.89 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.118 0.485 . . . . 0.0 111.508 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.95 168.15 11.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -96.86 131.56 43.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.221 0.534 . . . . 0.0 111.583 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' B' ' 33' ' ' VAL . . . -124.8 136.23 53.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.507 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.31 125.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 110.558 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HD2' HG23 ' B' ' 35' ' ' ILE . 77.3 t80 -100.71 117.07 34.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.034 177.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.72 129.22 44.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.812 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.4 p80 -136.72 173.12 12.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.77 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.7 18.55 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.69 64.52 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.09 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 47.5 m -135.54 161.97 59.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 12.6 Cg_endo -57.04 -33.35 95.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.649 2.233 . . . . 0.0 112.152 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.41 -37.68 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 24.7 m -62.97 -50.38 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.644 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.55 -46.07 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -61.81 -48.53 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.935 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.8 78.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.426 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 37.7 tt0 -67.6 -53.71 25.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -77.9 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.82 -63.37 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 111.543 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.29 -46.61 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.578 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.23 -32.23 72.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.685 0.279 . . . . 0.0 110.996 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.29 -24.85 54.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.58 88.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.7 mt -78.64 114.45 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.624 ' HB2' ' HB2' ' B' ' 30' ' ' LYS . 36.5 m-20 -62.91 128.82 92.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.891 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 24.3 Cg_exo -64.37 -19.17 65.23 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.817 2.345 . . . . 0.0 111.701 177.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.53 0.57 57.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.811 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 42.1 tttp -107.56 -48.3 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.46 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.79 157.26 44.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.902 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -96.6 99.67 11.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' B' ' 5' ' ' ALA . 48.6 t -104.83 125.7 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -117.83 144.31 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.918 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.578 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.4 mt -115.11 127.15 72.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.49 130.58 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.285 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -80.81 123.05 27.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.86 7.91 11.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.257 0.551 . . . . 0.0 110.651 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.93 29.96 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.732 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -155.23 -45.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.413 ' OD1' ' HG3' ' B' ' 44' ' ' ARG . 13.9 t70 -85.78 113.27 21.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.967 0.413 . . . . 0.0 110.564 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.7 6.31 42.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.765 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.87 -42.42 10.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 0.0 110.236 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.413 ' HG3' ' OD1' ' B' ' 41' ' ' ASP . 66.4 mtp180 -75.58 -3.93 37.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.016 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.34 -30.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.8 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.742 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.18 -47.52 85.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.206 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.18 -40.13 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.637 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -60.85 -37.45 82.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.294 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.19 -44.63 14.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.447 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.28 29.92 0.82 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.181 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 13.3 t -95.32 135.17 30.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -122.32 -18.06 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.879 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 27.7 m -136.88 144.82 43.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.522 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.632 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 4.3 m -88.63 -163.02 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.003 -0.522 . . . . 0.0 109.697 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.812 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 8.6 Cg_exo 11.41 85.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.345 2.697 . . . . 0.0 114.313 -137.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.58 155.95 40.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.018 -177.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.9 tp -111.31 111.94 23.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.009 0.433 . . . . 0.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -97.95 102.97 14.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -96.66 111.95 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 -177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t70 65.03 8.41 4.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.702 175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.56 -14.51 10.75 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.4 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.01 23.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.32 108.05 15.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.381 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.5 m-85 -100.56 97.87 8.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 109.882 176.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 53.2 m80 -71.21 125.53 27.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.112 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.43 112.15 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.747 0.308 . . . . 0.0 111.155 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 94.1 m-20 61.87 -89.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.444 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 179.77 91.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.864 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.6 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -80.37 -91.23 0.48 Allowed Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.85 -174.93 4.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.879 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -137.65 177.47 19.87 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.942 -1.123 . . . . 0.0 112.421 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.52 -32.47 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.4 -39.24 60.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.128 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.92 -49.82 16.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 0.0 110.713 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.14 -35.12 71.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.932 -173.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -85.36 -23.68 27.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.42 -69.12 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.863 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.514 -179.497 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.75 91.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.848 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -89.48 -91.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -175.42 141.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.816 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -132.53 107.72 8.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.694 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 26.3 mt -95.48 137.01 24.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -122.38 97.26 5.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.808 0.337 . . . . 0.0 110.743 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.63 125.76 33.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.752 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 15.4 p80 -143.9 -179.2 6.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.476 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 56' ' ' VAL . . . -122.43 10.88 9.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' HA3' ' HE2' ' A' ' 37' ' ' HIS . . . 67.89 65.68 2.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.679 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.8 p -139.48 163.9 42.17 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 4.9 Cg_endo -48.01 -41.16 33.47 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.131 2.554 . . . . 0.0 112.925 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.39 -36.46 69.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.841 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.752 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 60.8 m -69.12 -38.86 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -65.8 -39.0 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -58.45 -49.4 77.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 29.6 tt0 -66.56 -49.52 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.039 179.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -84.44 -4.11 58.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.69 -68.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.823 0.344 . . . . 0.0 111.346 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.4 -52.22 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.19 -0.49 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.19 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -93.36 -32.95 14.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.353 0.597 . . . . 0.0 109.539 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.06 56.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.471 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.2 mt -71.91 95.35 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.529 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.703 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 14.7 t70 -63.85 132.45 95.24 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.907 -176.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.28 -9.36 25.63 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.09 2.527 . . . . 0.0 113.347 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 t -104.15 -5.31 22.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.189 0.519 . . . . 0.0 109.663 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 49.6 tttp -93.26 -41.87 9.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.311 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.06 142.75 30.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.852 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -68.55 99.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.577 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.5 t -80.73 117.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.39 96.5 5.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -84.89 127.28 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.986 0.422 . . . . 0.0 110.796 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.19 117.4 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 63.8 t-80 -84.01 83.03 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.45 -12.17 60.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.49 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.68 95.48 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.018 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 t -109.77 -16.21 13.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.805 0.336 . . . . 0.0 110.699 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' HIS . 0.8 OUTLIER -85.4 43.75 1.04 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 109.561 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.07 -26.45 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.706 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -19.46 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.0 111.407 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 ttp180 -100.68 15.3 28.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.447 0.641 . . . . 0.0 110.445 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.546 HG13 HD11 ' A' ' 74' ' ' ILE . 17.0 tt -58.23 -28.9 36.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.452 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.0 74.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.206 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' OE1' ' HD2' ' A' ' 44' ' ' ARG . 34.1 tt0 -75.58 -36.89 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.007 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -58.55 -40.09 82.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.555 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.85 -37.37 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.166 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.94 -24.35 24.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.288 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.19 -31.63 43.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 28.95 5.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.087 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 59.0 t -87.59 103.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.921 0.391 . . . . 0.0 110.25 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.97 -19.69 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.641 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -149.74 166.51 29.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 10' ' ' ALA . 21.5 m -128.74 147.24 63.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.345 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.1 Cg_endo -77.9 154.0 93.81 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.049 -1.646 . . . . 0.0 112.981 -0.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.62 129.71 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.828 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 tp -101.57 107.17 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.193 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 46.1 t -98.7 99.03 7.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.196 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 63' ' ' GLY . 63.8 mt -94.42 113.99 30.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.416 -178.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.77 -27.53 0.16 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.861 0.864 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 156.76 -14.96 0.35 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.291 -0.481 . . . . 0.0 112.188 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.97 133.75 34.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.582 0.229 . . . . 0.0 110.405 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.32 115.47 27.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 0.0 111.963 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -115.02 105.18 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.584 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.4 m80 -71.94 145.56 48.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.404 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.569 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 48.8 mm -109.21 102.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 63.17 -163.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 110.043 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -135.52 94.04 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.044 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.42 -62.11 1.35 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.174 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 144.12 38.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.64 146.91 18.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.383 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.546 HD11 HG13 ' A' ' 45' ' ' ILE . 14.0 tt -65.49 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.209 0.528 . . . . 0.0 110.032 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.93 -33.74 72.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.192 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.36 -33.56 73.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.79 -22.78 56.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 99.4 mttt -76.05 95.56 3.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.33 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.95 -173.84 55.01 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.83 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.248 1.014 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.31 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.861 0.362 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.07 83.77 7.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.035 0.445 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -62.84 155.71 26.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 6' ' ' ILE . 38.8 ttpt -75.18 117.32 16.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.41 . . . . 0.0 111.027 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -108.32 106.98 17.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.6 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.532 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.1 mt -95.87 115.72 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.175 0.512 . . . . 0.0 110.791 -174.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.547 ' HE1' HD12 ' B' ' 68' ' ' ILE . 49.8 t80 -94.69 103.73 15.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.951 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -96.89 113.21 24.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.462 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.46 ' ND1' ' HB3' ' B' ' 15' ' ' CYS . 5.7 p80 -133.78 153.69 51.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.501 ' H ' ' HD3' ' B' ' 57' ' ' PRO . . . -161.35 77.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.364 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' B' ' 12' ' ' CYS . . . -172.54 -105.72 0.19 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.582 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 8.8 m -172.41 -64.41 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 123.039 0.536 . . . . 0.0 111.513 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 23.9 Cg_exo -61.93 -62.84 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.134 1.889 . . . . 0.0 113.22 -169.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -24.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.441 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 35.1 m -66.93 -51.82 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.678 -173.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 66.1 t -59.34 -52.0 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.089 -177.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -64.96 -37.39 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.884 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.565 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -69.57 -40.34 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.544 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 92.9 mt-30 -76.61 -12.69 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 -67.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.708 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.36 -45.75 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.65 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -96.7 -31.94 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.76 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.37 86.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.573 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 1.6 p30 -97.04 163.66 19.53 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.058 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 9.4 Cg_endo -53.25 -14.23 4.03 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.724 2.95 . . . . 0.0 115.197 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 -4.8 56.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.315 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 74.9 mmtt -114.02 -50.56 2.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 177.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 79.5 m-85 -139.82 169.46 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.763 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.8 m -89.18 98.61 11.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.62 116.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.343 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 6.5 mm-40 -115.62 98.09 6.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' B' ' 7' ' ' PHE . 70.0 mt -89.36 121.08 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.414 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.19 120.49 58.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.352 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -81.13 117.54 21.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 10' ' ' ALA . 36.3 tp -85.57 -13.0 50.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.908 -174.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.58 53.14 2.37 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.911 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -149.87 -53.98 0.16 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.036 0.446 . . . . 0.0 110.114 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.69 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 tttp -75.69 -17.78 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.48 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.5 -17.63 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.43 -19.3 65.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.03 -33.18 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.959 -173.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.88 84.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.198 0.523 . . . . 0.0 110.948 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.63 -30.72 57.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.998 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.41 99.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.471 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.0 -39.75 90.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.36 -43.88 84.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.712 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.269 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.54 18.83 10.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.314 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.32 88.87 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.949 0.404 . . . . 0.0 109.919 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.405 ' O ' HG22 ' B' ' 74' ' ' ILE . 86.6 tttt -84.21 -31.62 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.588 0.709 . . . . 0.0 109.873 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.547 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 16.6 m -122.72 138.88 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.062 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' B' ' 72' ' ' ALA . 1.3 t -80.21 -156.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.62 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 7.9 Cg_exo 1.94 89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.973 2.448 . . . . 0.0 115.031 -139.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -144.11 159.97 41.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.6 tt -117.16 114.55 23.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 0.0 110.153 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 37.2 t -93.18 99.51 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.421 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.46 104.59 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.6 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 69.42 -7.95 0.79 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.552 0.741 . . . . 0.0 111.965 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.05 -23.96 2.25 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.94 112.06 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 110.336 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -84.03 109.47 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.309 -178.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.93 112.49 24.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.794 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -73.58 129.67 38.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.542 -177.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.547 HD12 ' HE1' ' B' ' 7' ' ' PHE . 58.4 mt -99.44 98.87 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 62.77 -169.82 0.18 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.147 -170.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -90.63 85.73 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 -81.86 0.12 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.887 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.748 ' HB3' ' HB ' ' B' ' 56' ' ' VAL . . . -139.46 175.74 9.31 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.624 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.78 127.57 8.49 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.232 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.405 HG22 ' O ' ' B' ' 54' ' ' LYS . 14.6 tt -68.65 -31.86 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.386 0.593 . . . . 0.0 110.545 -177.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.547 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 8.1 t70 -75.92 -23.45 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.51 . . . . 0.0 109.727 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.41 -35.13 77.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.613 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.08 6.38 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.735 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 99.7 mttt -75.83 -45.75 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.817 0.342 . . . . 0.0 110.334 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.46 158.16 23.46 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 173.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.859 -177.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.658 ' HA ' ' O ' ' A' ' 28' ' ' PRO . 28.1 m . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.16 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 111.64 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 32' ' ' THR . 3.0 p -99.66 163.42 12.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.369 . . . . 0.0 111.717 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' A' ' 34' ' ' GLU . 23.2 ttmm -96.15 131.01 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.74 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.63 100.57 4.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.931 HG13 ' HB ' ' A' ' 60' ' ' VAL . 3.6 pt -95.47 125.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.231 0.539 . . . . 0.0 111.312 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' HE1' HD12 ' A' ' 68' ' ' ILE . 76.2 t80 -109.86 110.43 21.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.397 -175.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 6' ' ' ILE . 61.0 m-85 -100.91 140.08 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.648 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 23.6 p80 -162.07 179.23 8.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.707 0.289 . . . . 0.0 110.827 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -121.81 17.57 11.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.84 55.03 4.64 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.307 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.46 154.9 39.59 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -52.95 -40.07 77.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.8 t -61.56 -34.03 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 21.2 m -65.4 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.557 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.52 -44.86 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 m -65.05 -40.24 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.35 77.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.03 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.56 -47.28 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.061 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -79.35 -15.17 58.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.694 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 -68.8 0.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.06 -53.11 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.708 0.289 . . . . 0.0 111.403 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -75.81 3.52 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.061 0.457 . . . . 0.0 111.489 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -110.62 -26.52 9.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.964 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.92 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.586 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.87 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.762 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 10.7 t70 -92.27 132.84 31.16 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.658 ' O ' ' HA ' ' A' ' 1' ' ' VAL . 52.9 Cg_exo -55.47 -29.85 70.91 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.128 2.552 . . . . 0.0 113.264 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -67.49 -29.86 69.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -79.58 -73.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.313 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 67.5 m-85 -121.95 139.42 53.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.199 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' SER . 6.5 t -92.3 114.74 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.07 0.462 . . . . 0.0 109.812 175.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' HB1' ' A' ' 23' ' ' ALA . 46.2 t -80.83 105.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 6' ' ' ILE . 38.8 mt-10 -103.31 102.64 12.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.043 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.71 128.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.58 120.2 57.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -85.68 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.844 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -81.52 -6.22 58.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.84 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.48 40.6 2.7 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.617 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.4 -60.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.366 . . . . 0.0 111.195 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -120.18 135.11 55.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 -173.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.33 -27.97 52.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.027 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.95 -36.0 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.908 0.385 . . . . 0.0 110.417 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 43.2 mtp180 -72.75 -11.24 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.402 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 71.1 mt -66.22 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 171.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.24 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 33.0 tt0 -63.18 -43.37 98.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.801 175.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.08 -38.64 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.728 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 40.2 mt-10 -63.22 -37.94 89.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.7 -39.26 87.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -35.35 80.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.892 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.45 7.79 11.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.286 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 69.1 t -65.53 123.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.431 . . . . 0.0 110.641 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -122.46 -12.76 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.68 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.482 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 4.8 p -156.52 169.61 24.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.983 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.55 144.09 45.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.671 0.272 . . . . 0.0 110.668 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -83.97 154.21 67.54 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.013 -1.661 . . . . 0.0 112.915 -1.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -130.4 130.55 44.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.376 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.4 tp -105.3 104.61 14.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.853 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.931 ' HB ' HG13 ' A' ' 6' ' ' ILE . 44.1 t -92.17 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.211 0.529 . . . . 0.0 110.223 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -93.32 114.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.283 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 70.92 -45.01 0.6 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.879 0.737 . . . . 0.0 112.203 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.09 -23.08 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.267 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.57 139.21 30.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.58 0.229 . . . . 0.0 110.421 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -97.63 116.91 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -176.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.55 105.1 13.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.839 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.6 m80 -72.49 143.78 48.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' B' ' 66' ' ' PHE . 58.3 mt -117.74 95.25 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.579 0.228 . . . . 0.0 110.448 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.97 103.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.18 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -63.31 108.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.976 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.37 -55.7 0.8 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.419 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.31 165.16 27.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -103.85 166.28 15.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.752 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.7 tt -67.61 -27.57 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 0.0 110.013 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 5.9 m-20 -64.45 -26.17 68.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.23 -36.58 84.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.559 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 10' ' ' ALA . 89.9 mt -93.61 -22.5 18.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.275 0.56 . . . . 0.0 110.518 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 50.8 tttm -77.91 -28.85 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.731 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.23 -58.19 5.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.333 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.615 178.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' B' ' 30' ' ' LYS . . . -149.46 -76.1 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.271 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -100.65 179.92 4.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.05 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' B' ' 6' ' ' ILE . 22.4 ttmm -112.3 133.32 54.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.321 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.12 100.47 4.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.145 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' B' ' 4' ' ' LYS . 43.7 mt -95.46 136.42 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.566 -175.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' B' ' 68' ' ' ILE . 68.7 t80 -118.52 116.78 27.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -105.75 130.04 53.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.729 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 14.6 p80 -155.7 164.04 39.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.734 175.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.28 13.05 10.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.846 0.355 . . . . 0.0 111.138 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.64 98.37 1.41 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.734 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 p -171.0 155.94 4.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.46 -27.76 41.54 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.093 2.529 . . . . 0.0 113.035 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.61 -50.98 75.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.632 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 18.5 p -77.1 -24.57 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.416 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.54 -54.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.6 m -66.99 -35.1 79.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.9 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.0 tt0 -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.456 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.56 -39.84 95.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.594 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.09 -63.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.02 -43.68 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.754 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -72.47 -10.13 59.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.453 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -105.77 -7.16 18.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -81.78 -38.08 26.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -83.65 134.41 27.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.6 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.92 126.07 66.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.668 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 25.1 Cg_endo -61.92 -17.78 57.51 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.459 2.772 . . . . 0.0 113.532 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -67.5 -25.75 66.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 0.0 110.135 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' B' ' 2' ' ' ALA . 45.7 mtmt -107.29 -34.02 7.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 51.4 m-85 -130.69 127.55 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.3 -0.25 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -86.75 121.68 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.64 104.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.544 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.15 94.48 6.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.005 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.508 HG12 ' HB3' ' B' ' 7' ' ' PHE . 71.8 mt -85.87 121.03 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.44 124.2 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -89.71 108.49 19.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.551 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.449 HD12 HG12 ' B' ' 56' ' ' VAL . 93.6 mt -80.12 -6.28 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.345 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.42 -34.9 15.45 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 95.1 m -74.08 -44.2 54.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.478 . . . . 0.0 110.412 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 11.7 t70 -125.16 104.15 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.64 4.71 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 109.612 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HG2' ' OD1' ' B' ' 41' ' ' ASP . 28.4 mmm180 -65.07 -19.74 66.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 175.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.8 -36.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.336 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -63.28 -37.43 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.411 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.42 -46.18 87.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.108 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.67 -37.58 84.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.652 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.89 -37.72 88.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.057 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 83.4 mttt -59.54 -53.02 62.95 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 110.487 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.84 89.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.25 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.71 34.41 0.86 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.462 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.1 t -79.33 115.88 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.8 -31.37 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.446 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.5 m -146.56 150.88 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.855 0.36 . . . . 0.0 111.444 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' B' ' 57' ' ' PRO . 12.0 m -79.96 -162.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.518 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.271 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.729 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 11.14 86.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 123.68 2.92 . . . . 0.0 114.88 -136.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.2 154.77 42.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 113.782 -1.554 . . . . 0.0 109.608 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' B' ' 68' ' ' ILE . 56.4 tp -113.6 121.53 44.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 0.0 110.618 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 47.2 t -98.96 103.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.034 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -92.74 107.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 66.15 -65.99 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.187 0.929 . . . . 0.0 112.036 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.08 11.31 0.49 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.302 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.1 55.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.777 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.64 119.77 32.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.05 0.452 . . . . 0.0 111.324 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.481 ' HB3' HG23 ' A' ' 68' ' ' ILE . 93.9 m-85 -116.6 103.66 10.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.009 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 74.6 m80 -68.06 123.41 20.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.173 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.578 HD12 ' HE1' ' B' ' 7' ' ' PHE . 54.9 mt -92.4 101.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 61.43 -160.48 0.3 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -170.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.0 98.67 8.34 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -94.65 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.167 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.92 128.9 23.51 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.244 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.6 137.4 46.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.475 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 tt -67.83 -25.51 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 117.261 0.531 . . . . 0.0 110.197 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -36.51 71.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.276 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.39 -27.61 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.744 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.37 -58.37 2.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.192 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.06 -38.09 66.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.393 -174.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.67 54.78 2.15 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.396 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.368 -178.069 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.27 0.557 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -100.14 141.34 33.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -66.83 145.38 55.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.291 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 32' ' ' THR . 21.7 pttp -86.39 120.24 27.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.53 0.681 . . . . 0.0 111.111 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -85.7 114.62 22.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.38 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 6.3 mt -95.2 118.21 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.931 0.396 . . . . 0.0 110.889 -173.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.32 102.56 14.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.739 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -92.26 124.47 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p80 -149.02 170.8 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 175.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.33 18.7 9.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.648 0.261 . . . . 0.0 111.567 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.62 61.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.82 143.07 77.61 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.56 -26.26 21.82 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.907 2.404 . . . . 0.0 112.77 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.39 -38.99 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.526 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.574 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 30.3 p -75.78 -19.31 59.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.507 -172.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.47 -45.02 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 110.129 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -65.42 -44.79 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.64 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.321 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.12 -53.16 49.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.79 1.13 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.47 -67.76 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.3 -51.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.115 -175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.76 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -87.11 -35.96 18.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -35.1 77.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.706 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -81.43 92.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.9 OUTLIER -86.16 165.03 36.13 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.697 -178.359 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 27' ' ' ASP . 11.5 Cg_endo -55.97 -21.98 36.48 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.104 2.536 . . . . 0.0 114.22 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.5 t -80.84 -14.99 57.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.193 0.521 . . . . 0.0 110.139 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' B' ' 25' ' ' ALA . 50.2 tptt -92.29 -59.35 2.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 66.2 m-85 -149.1 164.42 34.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.623 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 28.7 m -78.27 121.3 24.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.11 125.89 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.826 0.346 . . . . 0.0 111.131 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 39.9 tt0 -132.5 114.34 14.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.48 130.63 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.653 0.263 . . . . 0.0 110.622 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.65 128.81 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -93.03 116.59 29.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.634 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.96 -4.82 39.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.538 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.32 38.96 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.92 -173.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -157.89 -64.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.912 0.387 . . . . 0.0 110.478 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -86.43 112.52 21.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.138 0.494 . . . . 0.0 110.718 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' A' ' 45' ' ' ILE . 48.6 mttp -74.91 -22.21 58.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.685 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.75 66.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.226 0.536 . . . . 0.0 110.772 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -84.04 -22.4 31.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.052 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 42' ' ' LYS . 1.8 mp -64.62 -43.11 96.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.113 177.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.199 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -83.63 -36.87 23.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.667 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.01 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.67 -30.36 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.35 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -40.97 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.8 -11.48 60.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.89 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.86 7.54 29.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.553 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -80.51 105.3 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.375 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.67 -18.86 13.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.376 0.608 . . . . 0.0 110.251 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -144.92 167.86 21.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.807 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.35 144.17 48.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.771 0.32 . . . . 0.0 110.36 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 91.5 Cg_endo -82.3 148.1 67.33 Favored 'Cis proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.968 -1.68 . . . . 0.0 113.126 0.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.57 122.4 34.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.153 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.2 tt -105.83 110.96 23.43 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.6 t -83.27 103.16 10.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.238 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.18 104.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.516 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.45 40.13 27.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.047 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.08 -23.29 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.02 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.82 116.89 29.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 110.777 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.61 119.37 23.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 0.0 111.58 -178.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -117.72 114.2 22.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.525 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.9 m80 -76.45 138.33 40.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.508 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' B' ' 66' ' ' PHE . 43.3 mm -116.59 96.74 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.541 -177.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 66.46 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.231 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.91 106.14 1.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.038 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.82 -49.29 0.85 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.75 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.38 158.43 44.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.567 0.222 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.7 145.32 15.94 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 45' ' ' ILE . 12.4 tt -74.07 -22.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.257 0.551 . . . . 0.0 110.3 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 23.4 t70 -76.08 -27.73 57.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.202 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.436 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.38 10.9 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.357 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 93.0 mttt -99.16 5.22 46.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.91 -97.9 1.09 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.842 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.74 -176.025 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.96 0.409 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.26 129.3 55.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.002 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' B' ' 31' ' ' TYR . 3.7 m -68.45 174.44 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.026 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.516 ' HE3' HD11 ' B' ' 6' ' ' ILE . 58.6 pttt -125.95 157.52 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.38 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -116.45 114.4 24.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.813 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.516 HD11 ' HE3' ' B' ' 4' ' ' LYS . 17.1 mt -96.61 110.47 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.46 ' HD1' ' HB2' ' B' ' 59' ' ' LEU . 79.3 t80 -96.49 113.87 25.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.826 0.345 . . . . 0.0 110.212 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.127 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.7 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -145.21 -178.84 6.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.864 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.36 21.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.25 77.82 1.25 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.059 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 45.5 m -138.47 149.87 64.35 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.47 -37.81 89.79 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.801 2.334 . . . . 0.0 111.792 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.22 -39.12 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.781 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 27.3 m -65.58 -36.73 84.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.07 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 47.3 t -63.33 -55.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.309 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -37.43 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.213 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.52 87.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 111.012 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.1 tt0 -69.22 -34.27 74.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.735 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 68.9 mt-30 -92.27 -2.31 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.632 -176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.55 -67.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.506 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.64 -48.31 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -78.78 7.58 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.876 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -108.2 -32.95 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.616 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -66.74 -37.0 83.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.651 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.0 mt -93.38 86.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.539 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 3.3 p30 -83.82 157.49 63.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.491 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 27.9 Cg_endo -62.23 -5.9 7.35 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.36 2.707 . . . . 0.0 114.138 -174.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -84.1 -14.97 49.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.446 0.641 . . . . 0.0 109.524 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -103.36 -58.43 1.88 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.584 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 95.8 m-85 -140.49 155.96 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.788 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.6 p -90.6 129.51 36.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.805 0.335 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.77 126.68 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.787 0.327 . . . . 0.0 110.976 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -119.91 120.35 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.83 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.444 HD13 ' HB3' ' B' ' 7' ' ' PHE . 34.8 mm -96.16 125.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.152 -178.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.86 125.31 70.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 111.254 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -92.89 107.66 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.635 HD12 HG12 ' B' ' 56' ' ' VAL . 55.5 mt -72.66 -15.73 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.621 -175.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.48 7.22 61.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.785 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -107.96 -19.82 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 111.222 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -147.48 129.61 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.063 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' B' ' 45' ' ' ILE . 60.8 mttp -82.01 -31.83 30.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.328 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 110.904 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.985 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' B' ' 42' ' ' LYS . 80.5 mt -63.22 -50.68 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.0 -34.4 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.411 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.45 -38.47 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -63.48 -40.89 98.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HG2' HD13 ' B' ' 74' ' ' ILE . 39.1 mt-10 -63.96 -30.65 71.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 95.7 mttt -63.03 -45.15 93.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.066 0.46 . . . . 0.0 110.225 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.19 -20.89 60.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.731 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 10.05 12.87 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 47.0 t -84.0 111.37 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -110.33 -3.2 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.318 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 47.8 m -144.21 149.32 36.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.867 0.365 . . . . 0.0 111.385 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.635 HG12 HD12 ' B' ' 38' ' ' LEU . 8.4 m -85.3 -168.55 0.19 Allowed Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.65 ' HG3' ' SG ' ' B' ' 15' ' ' CYS . 6.3 Cg_exo 12.4 85.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 123.375 2.717 . . . . 0.0 114.577 -135.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -147.39 157.29 43.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.795 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' B' ' 5' ' ' ALA . 10.1 tt -133.9 129.51 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.059 0.457 . . . . 0.0 110.614 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 5' ' ' ALA . 63.4 t -101.24 113.63 37.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.788 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -90.94 111.97 24.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.84 -69.18 0.17 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.856 0.722 . . . . 0.0 110.93 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.95 16.05 0.24 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.928 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.99 125.58 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 110.246 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.21 120.29 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.591 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.435 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.4 m-85 -119.84 103.31 9.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.014 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.9 m80 -71.31 125.4 26.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.851 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.5 107.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.4 m-20 62.99 -161.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.206 -173.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -109.2 94.2 4.91 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.4 -97.03 0.2 Allowed Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.82 164.28 30.37 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.202 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' ASP . . . -75.27 151.74 42.4 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.804 -1.188 . . . . 0.0 110.386 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' B' ' 49' ' ' GLU . 17.2 tt -70.08 -19.3 22.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 117.58 0.69 . . . . 0.0 109.917 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.22 -14.47 58.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 73' ' ' GLY . 2.4 m-20 -64.04 -33.94 76.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.144 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.441 HD11 HG11 ' B' ' 56' ' ' VAL . 69.2 mt -70.59 -27.59 64.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -76.9 -28.41 55.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.545 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.73 -157.04 35.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.754 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.778 -0.63 . . . . 0.0 110.216 179.028 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -72.32 108.73 5.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 23.2 t -79.28 148.65 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.448 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HE3' HD11 ' A' ' 6' ' ' ILE . 62.8 tttp -76.01 114.24 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.608 -178.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.71 107.23 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.866 0.365 . . . . 0.0 110.765 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.582 HD11 ' HE3' ' A' ' 4' ' ' LYS . 51.3 mt -95.1 125.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 110.698 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -99.9 100.52 11.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 57' ' ' PRO . 72.9 m-85 -88.9 128.41 35.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.851 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 p80 -148.51 156.84 42.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . . . -142.07 13.29 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.87 -109.87 1.46 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.004 -1.093 . . . . 0.0 111.499 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.4 t -174.46 -64.11 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.057 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 10.2 Cg_endo -50.27 -72.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.677 2.251 . . . . 0.0 113.604 -171.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.99 -22.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.317 0.58 . . . . 0.0 110.997 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 56.2 m -69.97 -47.23 63.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.898 -177.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 12' ' ' CYS . 90.6 t -66.07 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.627 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 m -56.3 -45.56 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.0 110.27 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.55 58.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 25.9 tt0 -64.67 -43.79 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.015 0.436 . . . . 0.0 110.83 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.05 -30.31 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.787 -177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 -66.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.49 -47.29 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.663 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.32 -16.11 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -102.2 -14.9 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.685 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.09 -31.55 56.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.197 0.523 . . . . 0.0 109.833 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -87.68 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.472 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 14.5 t70 -86.09 130.77 48.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 22.9 Cg_exo -66.02 -12.67 36.39 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.062 2.508 . . . . 0.0 113.413 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -101.31 -1.2 34.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.405 0.621 . . . . 0.0 110.147 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 51.3 tttp -100.24 -42.55 6.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.601 174.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.712 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 54.4 m-85 -136.04 138.73 42.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.395 175.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -83.05 93.95 7.69 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.94 112.9 19.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.18 110.65 22.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.288 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.13 116.3 29.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.71 0.29 . . . . 0.0 110.572 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.09 124.28 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.93 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 9' ' ' HIS . 38.7 t-80 -98.51 109.76 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.163 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 91.6 mt -73.37 -11.36 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.45 -19.77 65.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.871 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -94.74 -35.2 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.024 0.44 . . . . 0.0 110.726 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.0 119.04 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.356 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -83.29 -17.46 42.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.499 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -34.23 43.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 0.0 110.378 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -63.97 -21.03 66.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.052 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.51 -40.91 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.062 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -68.56 -38.18 80.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.03 -47.83 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.088 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.85 -40.41 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.248 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.6 -45.13 95.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 98.0 mttt -65.52 -32.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.707 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.88 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.67 15.75 7.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.919 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 53.9 t -75.95 117.13 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.218 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -97.01 -33.47 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.349 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.0 m -145.89 166.78 24.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 111.08 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.851 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 29.6 m -130.53 152.18 79.93 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.962 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 74.4 Cg_endo -76.53 149.27 90.84 Favored 'Cis proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.099 -1.626 . . . . 0.0 112.697 1.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.08 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 tp -99.16 103.14 15.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.824 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.86 99.47 9.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.67 105.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.51 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.34 29.04 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.456 0.646 . . . . 0.0 111.315 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.78 -24.01 20.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.69 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.23 111.79 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.845 0.355 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.32 112.39 20.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.36 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.31 100.42 9.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.988 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -67.97 131.78 46.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.099 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' B' ' 66' ' ' PHE . 57.7 mt -108.08 100.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 62.24 -164.85 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.039 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -128.04 110.73 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.99 -64.16 0.57 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.449 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 151.18 46.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -108.28 152.89 16.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.716 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.72 -24.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.426 0.631 . . . . 0.0 109.91 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.46 -24.45 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.376 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -85.14 -32.73 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.67 -20.45 64.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.631 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -76.52 81.35 3.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.954 0.407 . . . . 0.0 111.398 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.29 -45.57 3.38 Favored Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.427 173.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.098 -174.218 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.63 122.33 26.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.433 ' HB3' ' OD1' ' B' ' 62' ' ' ASP . 25.4 m -71.11 157.82 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.678 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -107.69 149.74 27.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.721 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -122.9 117.39 25.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.485 177.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.844 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.5 pt -99.55 119.14 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 111.288 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' B' ' 35' ' ' ILE . 81.3 t80 -100.78 119.53 38.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.83 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.52 128.74 52.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.293 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -158.4 165.87 33.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.754 173.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.63 23.26 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.21 73.74 1.27 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.664 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.437 ' O ' HG23 ' B' ' 16' ' ' VAL . 58.4 m -127.01 148.55 66.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.85 -18.49 64.91 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.339 2.026 . . . . 0.0 112.093 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.44 -43.48 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.255 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.723 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 17.0 p -76.58 -20.33 56.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.699 -173.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 12' ' ' CYS . 97.1 t -56.47 -48.58 79.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.027 0.442 . . . . 0.0 110.364 177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.8 m -63.69 -41.48 98.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.658 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.28 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.104 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.9 tt0 -67.72 -29.79 69.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -93.9 -23.86 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 -60.97 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.03 -39.81 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.721 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -80.83 9.57 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.71 -21.42 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 169.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.712 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.8 -45.42 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -101.26 97.56 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 8.1 p-10 -79.45 144.86 62.39 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -175.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 42.6 Cg_exo -58.69 -17.79 37.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.369 2.713 . . . . 0.0 113.341 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 -10.58 50.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.016 0.436 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -99.9 -47.92 4.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 96.1 m-85 -135.59 143.06 45.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.594 173.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -71.46 96.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.995 0.426 . . . . 0.0 111.07 -175.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.72 122.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.923 0.392 . . . . 0.0 110.544 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -121.44 119.85 33.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.173 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' B' ' 7' ' ' PHE . 48.2 mm -89.32 127.58 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.516 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.564 HG13 ' HD3' ' B' ' 44' ' ' ARG . 38.6 t -114.06 104.07 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.287 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -90.58 108.67 19.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.04 -15.98 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.178 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.91 -19.15 73.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.379 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -82.01 -43.82 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.222 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.797 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 62.1 m-20 -133.1 119.83 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.09 -17.4 64.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 109.883 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.3 73.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.48 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 79.7 mtt-85 -71.78 -20.74 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.623 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.7 -38.75 90.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.375 177.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 33.1 mt-10 -62.56 -36.45 82.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.77 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.07 -46.25 90.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.58 -34.67 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 92.1 mttt -61.49 -36.6 80.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.653 177.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 -23.32 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.43 10.9 24.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.469 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 46.7 t -69.62 120.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -105.0 -15.77 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.9 m -145.09 147.77 32.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.651 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.45 -175.01 0.4 Allowed Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.723 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 2.5 Cg_exo 13.82 89.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.467 3.444 . . . . 0.0 115.675 -136.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.404 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -146.05 152.97 40.19 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.244 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 ' HB1' ' B' ' 5' ' ' ALA . 7.2 tt -125.08 126.92 46.11 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.844 ' HB ' HG13 ' B' ' 6' ' ' ILE . 53.5 t -109.07 116.55 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.075 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' B' ' 63' ' ' GLY . 61.0 mt -96.12 107.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.277 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 3' ' ' SER . 7.7 m-20 68.49 -32.5 0.21 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.506 0.722 . . . . 0.0 112.901 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 166.69 -18.78 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 -175.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.39 121.59 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.73 -0.277 . . . . 0.0 110.257 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.5 121.96 31.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 111.71 -176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 68' ' ' ILE . 89.9 m-85 -120.48 103.75 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.909 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -66.53 123.45 20.06 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.404 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 50.7 mm -105.25 98.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 61.1 96.83 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.953 0.783 . . . . 0.0 109.392 -170.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -41.97 105.53 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.159 0.912 . . . . 0.0 111.755 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.24 -93.87 0.4 Allowed Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.688 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 154.93 47.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.66 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.3 123.27 11.91 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.104 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -69.06 -27.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.068 0.461 . . . . 0.0 110.898 -175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.66 -24.82 58.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.62 -24.64 65.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.0 mt -73.53 -3.49 28.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.98 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.19 -16.0 36.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.199 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.57 92.24 0.71 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.25 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.09 177.515 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.992 0.425 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.0 155.72 28.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.283 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -69.99 134.38 48.27 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 6' ' ' ILE . 59.1 pttt -96.9 147.49 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.63 0.729 . . . . 0.0 112.04 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 61' ' ' ILE . . . -113.99 120.66 41.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.891 173.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HE3' ' A' ' 4' ' ' LYS . 16.1 mt -94.98 114.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.915 0.388 . . . . 0.0 110.304 -175.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 68' ' ' ILE . 44.5 t80 -96.87 100.02 11.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.104 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.68 124.69 34.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.47 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 22.4 p80 -150.24 -179.55 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.844 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.67 18.86 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.94 54.94 18.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.758 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -124.08 151.74 65.93 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -44.03 -44.48 12.22 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.437 2.758 . . . . 0.0 113.624 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.7 -49.14 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.549 0.214 . . . . 0.0 111.537 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 29.2 p -75.48 -30.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.044 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.65 -37.4 77.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.309 175.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -67.05 -40.39 87.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.394 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.91 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 40.1 tt0 -62.92 -33.1 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.608 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -83.92 -39.03 20.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.182 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.0 -70.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.57 -41.39 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.755 0.312 . . . . 0.0 111.305 -173.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -76.98 4.82 9.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.614 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -117.08 -24.54 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.97 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.0 112.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.14 118.88 43.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 24.5 Cg_exo -64.43 -12.81 35.01 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.26 2.64 . . . . 0.0 112.947 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -100.72 4.43 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.156 0.503 . . . . 0.0 110.015 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -117.87 -35.41 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 60.7 m-85 -133.26 135.14 44.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.035 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.2 m -74.25 104.19 4.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.074 0.464 . . . . 0.0 110.937 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.3 110.25 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.156 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 36.9 tt0 -113.02 112.63 24.2 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.43 130.05 47.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -175.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -130.09 130.78 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.681 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.91 120.3 23.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 38' ' ' LEU . 2.3 tm? -91.57 -23.24 19.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.65 0.69 88.21 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.611 -172.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -101.03 -37.86 8.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.226 0.513 . . . . 0.0 111.673 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.52 132.83 55.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.935 0.398 . . . . 0.0 111.577 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.22 -4.39 58.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.784 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -35.86 41.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.002 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -72.78 -16.02 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 177.014 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 74' ' ' ILE . 52.8 mt -63.07 -38.56 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 109.959 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.99 78.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' OE2' ' HG3' ' A' ' 44' ' ' ARG . 41.4 mt-10 -67.73 -36.56 80.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 175.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.17 -44.5 96.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.789 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.18 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -75.32 -29.59 60.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.999 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.18 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.32 29.88 3.55 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.539 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 87.7 t -83.51 126.0 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.775 0.322 . . . . 0.0 110.305 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 74' ' ' ILE . 98.4 mttt -105.77 -37.51 6.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 26.0 p -151.32 157.51 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.142 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 35.0 m -98.57 147.98 33.9 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 1.2 Cg_endo -80.2 133.05 25.84 Favored 'Cis proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.95 -1.271 . . . . 0.0 112.733 3.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.06 31.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.589 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.87 100.58 12.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.725 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.25 97.67 7.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 63' ' ' GLY . 55.1 mt -90.86 106.04 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 71.31 -32.4 0.25 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.821 0.7 . . . . 0.0 112.07 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.34 -20.72 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.03 118.77 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 110.253 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.2 123.39 33.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.36 112.21 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.948 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 55' ' ' SER . 72.5 m80 -82.15 121.2 26.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.562 -177.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD12 ' HE1' ' A' ' 7' ' ' PHE . 48.8 mt -94.4 96.51 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 63.11 -165.37 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -120.21 112.29 18.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.41 -77.55 1.24 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.414 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 132.11 29.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -88.62 145.09 18.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.324 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 45' ' ' ILE . 14.6 tt -66.91 -29.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.03 -40.79 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.517 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.57 -18.74 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -74.29 -26.85 60.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.719 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.5 -57.67 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.691 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.21 -115.24 0.6 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.257 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.708 178.395 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.964 0.411 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.1 126.87 49.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -67.02 142.98 57.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -97.63 145.88 25.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.489 0.661 . . . . 0.0 111.762 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -120.21 116.61 25.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.179 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 35.9 mt -101.86 114.2 40.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -173.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -96.52 122.09 39.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -106.54 133.05 51.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.503 ' HA ' ' HB ' ' B' ' 56' ' ' VAL . 8.0 p80 -154.25 -179.43 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.394 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 25.27 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.666 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.89 59.95 5.22 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.978 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.513 ' O ' HG23 ' B' ' 16' ' ' VAL . 20.0 m -117.17 148.27 42.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -52.29 -35.52 64.41 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.581 2.187 . . . . 0.0 112.157 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.41 -46.97 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.478 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.908 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 25.7 p -77.92 -18.37 56.2 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.469 -175.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 12' ' ' CYS . 95.9 t -60.36 -53.76 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 109.752 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.4 m -64.02 -41.93 97.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.47 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.26 96.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.275 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -63.09 -50.77 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -76.07 -4.67 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.07 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 -66.13 1.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.89 -50.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 -175.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.68 -0.68 27.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.051 0.453 . . . . 0.0 110.926 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -93.49 -37.81 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.36 70.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.461 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.97 94.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' B' ' 29' ' ' SER . 4.6 p-10 -91.59 156.33 43.16 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.818 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 32.6 Cg_exo -60.08 -16.98 42.66 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.49 2.793 . . . . 0.0 114.305 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' B' ' 27' ' ' ASP . 51.0 m -79.72 -10.78 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 110.435 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -107.32 -51.82 2.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 58.4 m-85 -137.37 138.1 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.745 176.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 22.9 m -73.94 107.82 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.887 0.375 . . . . 0.0 110.478 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.67 124.33 38.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.032 0.444 . . . . 0.0 111.275 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 13.5 tp10 -117.9 111.14 18.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.64 122.79 54.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 52.9 t -119.58 125.15 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.216 0.531 . . . . 0.0 111.176 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -89.81 113.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' B' ' 56' ' ' VAL . 68.7 mt -84.63 -5.99 59.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.821 0.343 . . . . 0.0 111.601 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.44 49.3 2.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.797 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -153.29 -45.77 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.42 126.61 46.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.42 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -72.82 -19.62 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.209 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -68.42 -32.2 72.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 110.049 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.483 ' HD3' ' OE2' ' B' ' 47' ' ' GLU . 69.2 mmt-85 -68.54 -32.87 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.223 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.434 HG23 HD11 ' B' ' 74' ' ' ILE . 73.4 mt -62.48 -41.48 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.121 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.41 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.608 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.483 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 42.7 mt-10 -66.72 -32.18 73.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -62.3 -55.97 22.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.98 -29.78 71.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -63.82 -37.15 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.137 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.56 26.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.79 5.66 10.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.898 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 22.6 t -80.11 98.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.82 -5.19 35.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.54 ' HB3' ' CD2' ' B' ' 67' ' ' HIS . 37.9 t -147.52 144.5 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 6.9 m -76.52 -168.21 0.14 Allowed Pre-proline 0 C--O 1.238 0.494 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.908 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 5.8 Cg_exo 15.22 85.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 123.713 2.942 . . . . 0.0 114.8 -136.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.29 156.32 41.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.504 177.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.7 tt -128.79 126.03 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.034 0.445 . . . . 0.0 110.305 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 54.0 t -97.3 119.05 44.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.76 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -102.1 108.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.71 -48.89 0.66 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.896 0.748 . . . . 0.0 111.799 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.12 -27.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.097 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.63 126.03 33.6 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.805 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.371 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -118.12 116.8 27.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.809 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' B' ' 55' ' ' SER . 70.4 m80 -75.09 125.04 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -112.49 100.57 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 61.89 99.18 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.5 -170.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -44.92 105.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.008 0.818 . . . . 0.0 111.44 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.423 ' HA3' ' HG2' ' B' ' 57' ' ' PRO . . . -80.39 -90.81 0.49 Allowed Glycine 0 N--CA 1.437 -1.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.811 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.55 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.69 133.04 30.02 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.826 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.26 142.08 36.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.886 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.434 HD11 HG23 ' B' ' 45' ' ' ILE . 10.8 tp -60.36 -28.88 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 111.248 -176.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.35 -21.4 53.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.759 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.71 -28.63 63.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.447 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.78 -25.38 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.687 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -72.95 -51.03 19.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.647 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.27 25.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.001 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.441 177.158 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.32 130.16 54.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.649 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.2 m -76.32 147.36 38.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.719 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.38 115.26 18.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.082 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.33 110.67 14.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.494 HG12 ' OE1' ' A' ' 34' ' ' GLU . 4.5 mt -96.56 128.67 47.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.887 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -107.49 99.1 8.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' HD21 ' A' ' 38' ' ' LEU . 69.2 m-85 -90.16 123.67 34.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 18.8 p80 -141.79 171.93 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.294 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.35 15.63 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.63 19.68 78.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.734 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 m -78.91 149.17 73.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.68 -27.63 62.01 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 112.348 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.14 -31.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 42.4 m -72.71 -27.92 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.85 -50.59 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.297 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -59.01 -41.42 87.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.361 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.9 tt0 -67.0 -42.52 84.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.62 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -58.95 -56.79 17.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.874 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.28 -58.36 2.4 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -174.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.24 -49.0 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.657 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.16 -14.26 62.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -105.88 1.12 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.62 -29.27 15.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.621 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 25' ' ' ALA . 78.5 mt -66.02 120.84 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.6 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.09 126.13 75.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.126 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.98 -19.67 33.4 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.477 2.785 . . . . 0.0 113.495 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.9 p -72.68 -11.64 60.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.671 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' B' ' 27' ' ' ASP . 63.1 mttm -109.36 -51.98 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' SER . 71.5 m-85 -131.63 149.62 52.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.274 -174.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 m -99.22 109.71 22.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.5 t -84.33 104.48 12.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.945 0.402 . . . . 0.0 110.804 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 6' ' ' ILE . 39.7 mt-10 -88.48 106.65 18.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.365 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mm -78.91 108.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.69 115.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.434 . . . . 0.0 111.436 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -88.39 117.12 27.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.803 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 8' ' ' TYR . 72.4 mt -77.73 -24.21 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 112.02 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.85 39.01 2.17 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.093 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -133.36 -42.03 0.87 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -133.82 129.5 36.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 59.9 mttp -88.95 0.42 56.65 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.77 -31.89 25.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -71.52 -8.93 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.488 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 42' ' ' LYS . 48.6 mm -61.7 -45.54 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.65 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.01 -47.5 86.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.111 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.2 91.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.73 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.74 -42.93 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -69.33 -27.58 65.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.253 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.05 59.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 0.0 111.1 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.17 10.31 39.68 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.59 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.91 114.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.71 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -99.26 -25.22 14.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.818 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -155.11 168.19 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.1 m -117.13 146.37 37.93 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.585 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 79.5 Cg_endo -83.56 146.55 54.71 Favored 'Cis proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.908 -0.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.55 129.68 49.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 26' ' ' ILE . 60.4 tp -102.77 102.98 13.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.158 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.1 t -85.81 97.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 0.0 109.87 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.65 100.72 11.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.829 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 62.04 16.39 8.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.416 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.42 -21.69 6.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.748 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.93 123.84 38.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.747 0.273 . . . . 0.0 110.581 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.18 24.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.02 0.438 . . . . 0.0 111.445 -175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.415 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.8 m-85 -115.91 104.75 11.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.324 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.2 m80 -71.45 146.53 48.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.689 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -132.2 105.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 123.296 0.373 . . . . 0.0 110.106 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 66.16 106.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.08 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.95 100.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.03 -66.6 0.99 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.845 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.41 142.1 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.51 153.81 30.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.204 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.04 -26.04 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.69 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.721 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.17 -31.15 65.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.918 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.47 -35.55 53.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.0 110.555 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.06 -40.24 53.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.49 48.45 1.04 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.235 -178.094 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.12 43.41 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.013 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -63.57 166.96 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.244 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' B' ' 32' ' ' THR . 2.3 pttp -87.07 121.97 30.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.462 0.649 . . . . 0.0 111.202 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.45 119.62 34.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.204 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.52 114.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.0 0.429 . . . . 0.0 111.278 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' B' ' 35' ' ' ILE . 53.4 t80 -94.56 98.09 10.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.42 ' CD2' HG21 ' B' ' 53' ' ' VAL . 57.1 m-85 -85.21 118.12 24.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.736 0.303 . . . . 0.0 110.23 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -135.27 -175.88 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.546 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.96 22.6 2.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.9 61.81 2.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.223 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 35.9 m -129.49 156.46 78.57 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.72 -33.57 96.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.617 2.212 . . . . 0.0 111.627 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.21 -39.88 53.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.658 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.775 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 4.5 m -71.12 -30.28 66.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.667 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLN . 41.2 t -72.5 -48.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -64.71 -39.57 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.79 75.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 35.3 tt0 -65.87 -42.83 89.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' B' ' 16' ' ' VAL . 47.6 mm-40 -79.32 -16.75 55.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.722 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 -64.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.821 0.343 . . . . 0.0 111.802 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.18 -48.82 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.26 -11.79 60.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -83.79 -36.19 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.127 0.489 . . . . 0.0 109.88 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' A' ' 26' ' ' ILE . . . -67.84 -36.66 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.859 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -88.96 106.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.635 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.616 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 11.6 t70 -65.46 134.49 95.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.056 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.09 -20.35 71.05 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.971 2.447 . . . . 0.0 112.931 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t -92.35 -15.65 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 51.7 tttp -82.54 -47.7 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.227 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -139.35 147.88 42.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 174.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' B' ' 4' ' ' LYS . 10.8 m -83.72 93.9 8.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.57 123.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.269 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.54 123.33 43.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.662 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' B' ' 7' ' ' PHE . 42.2 mt -99.12 118.14 45.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.993 0.425 . . . . 0.0 110.735 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.531 HG13 ' HD3' ' B' ' 44' ' ' ARG . 92.3 t -112.92 125.02 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.885 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -90.14 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.309 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.637 HD12 HG12 ' B' ' 56' ' ' VAL . 68.7 mt -86.36 -14.5 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 111.305 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.39 -10.16 81.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.332 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -106.11 -60.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.831 0.348 . . . . 0.0 111.319 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.65 135.35 37.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.234 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -88.19 -21.54 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.753 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.06 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.531 ' HD3' HG13 ' B' ' 36' ' ' VAL . 69.7 mtt85 -65.5 -27.0 68.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.971 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.521 . . . . 0.0 109.611 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.23 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.862 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.68 -38.12 80.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.008 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.56 -39.89 92.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.099 0.476 . . . . 0.0 110.713 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.81 -32.1 46.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.29 78.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.577 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.69 39.45 0.71 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.437 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 36.4 t -109.75 122.43 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.514 0.197 . . . . 0.0 110.518 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -101.27 -18.36 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.0 111.238 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.742 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 24.8 m -139.67 141.99 36.96 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.154 -177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.637 HG12 HD12 ' B' ' 38' ' ' LEU . 12.1 m -82.88 -173.35 0.43 Allowed Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.064 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.767 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.45 88.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.437 0 C-N-CA 124.196 3.264 . . . . 0.0 115.437 -136.477 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.707 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -145.0 162.39 37.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 113.247 -1.797 . . . . 0.0 109.575 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.29 117.11 24.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 0.0 110.741 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 44.9 t -96.57 101.18 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.89 116.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.98 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 64.22 12.39 7.08 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.595 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.51 -21.86 9.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.542 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.85 126.67 37.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 110.53 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.41 117.45 27.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.95 0.405 . . . . 0.0 111.487 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -112.97 110.15 20.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.8 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 60.3 m80 -73.14 134.6 44.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.707 HG13 ' HA ' ' B' ' 58' ' ' ALA . 4.3 mt -92.97 -171.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.662 ' H ' HG22 ' B' ' 68' ' ' ILE . 76.2 m-20 -27.02 111.27 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.552 0.533 . . . . 0.0 110.254 166.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -48.11 101.59 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.319 1.012 . . . . 0.0 112.009 -167.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.19 -87.62 0.5 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.93 -176.27 4.52 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.684 176.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.742 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -109.95 162.27 12.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.141 174.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 tt -72.22 -24.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.4 -28.58 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.559 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.48 -47.43 67.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.031 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.56 -27.85 41.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.329 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -80.41 -35.95 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.08 52.61 26.95 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.124 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.108 -179.209 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.459 0.171 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.24 86.15 5.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.271 0.557 . . . . 0.0 110.097 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -99.55 170.2 8.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.265 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 6' ' ' ILE . 51.2 tptt -72.26 114.66 10.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.88 109.08 11.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.207 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HE3' ' A' ' 4' ' ' LYS . 28.8 mm -97.43 132.15 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.899 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.574 ' HB3' HG12 ' A' ' 35' ' ' ILE . 57.9 t80 -111.77 102.47 10.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' CD2' HG21 ' A' ' 53' ' ' VAL . 53.3 m-85 -86.67 131.34 34.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.657 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 5.3 p80 -153.68 165.85 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.9 9.75 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.83 33.73 50.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.378 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 158.59 35.94 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.11 -40.65 68.1 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.667 2.244 . . . . 0.0 112.087 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.36 -36.37 72.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.564 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 60.5 m -67.42 -38.91 85.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.76 -45.62 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.286 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 m -61.51 -45.24 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.799 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.89 92.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.43 -59.63 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -69.01 -12.93 62.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -171.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.5 -63.67 1.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.95 -55.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.615 0.245 . . . . 0.0 111.569 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.59 74.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 111.194 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -73.86 -30.95 62.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.693 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.92 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.346 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.43 118.91 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.227 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 5.2 m-20 -69.33 128.07 92.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 15.0 Cg_exo -69.82 -3.5 12.18 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 111.061 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 t -95.52 -6.74 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.34 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -108.69 -50.82 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.747 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -123.59 156.54 35.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.779 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 m -89.72 91.8 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.024 0.44 . . . . 0.0 110.229 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.54 110.26 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HB3' HD13 ' A' ' 6' ' ' ILE . 35.4 tt0 -111.78 107.15 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.537 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 7' ' ' PHE . 66.9 mt -88.74 125.5 41.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.043 -175.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.34 122.39 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -86.88 116.56 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.617 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.52 -5.74 55.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.606 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.07 47.5 3.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.2 m -157.48 -55.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.068 0.461 . . . . 0.0 110.759 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -104.29 131.68 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.639 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.82 -15.02 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.686 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.34 74.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.256 0.551 . . . . 0.0 109.927 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -72.96 -11.04 60.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.838 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.57 -40.55 86.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.12 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.073 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.03 -46.52 87.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.364 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.61 -40.51 92.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.895 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' HE3' ' A' ' 78' ' ' LYS . 39.1 tt0 -64.63 -37.49 87.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.08 -36.45 83.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.583 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.46 -42.44 43.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.573 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.61 21.59 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.43 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 57.9 t -82.99 134.54 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.479 0.18 . . . . 0.0 110.52 -178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 74' ' ' ILE . 95.6 mttt -111.48 -34.11 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.723 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.473 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 15.6 m -135.15 161.1 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.896 0.379 . . . . 0.0 110.984 -174.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.4 m -124.45 145.75 50.02 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.826 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 6.2 Cg_exo -78.03 153.66 93.12 Favored 'Cis proline' 0 CA--C 1.528 0.177 0 C-N-CA 123.755 -1.352 . . . . 0.0 112.859 2.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -138.32 133.72 33.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.415 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -106.32 108.08 19.41 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 43.7 t -89.1 102.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.338 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -97.44 106.54 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.339 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 62.98 17.13 9.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.423 0.63 . . . . 0.0 111.273 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.88 -17.19 17.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.314 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.32 114.25 26.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.755 0.312 . . . . 0.0 110.172 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -84.98 112.41 20.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 111.656 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.22 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.079 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.543 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 69.0 m80 -71.61 139.01 49.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.395 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.515 ' O ' ' HD2' ' A' ' 57' ' ' PRO . 52.7 mt -113.34 92.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.891 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 65.23 -173.76 0.18 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.841 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -127.57 104.59 7.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.88 -56.14 1.17 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 173.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 157.0 46.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.7 135.08 12.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.66 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 54' ' ' LYS . 11.4 tt -66.07 -34.72 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.44 -30.2 69.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.97 -35.09 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.358 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.39 -24.71 24.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.392 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HE3' ' OE2' ' A' ' 49' ' ' GLU . 59.2 tttm -76.39 108.48 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.046 0.451 . . . . 0.0 111.101 -176.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.42 163.84 30.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.396 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.301 -178.332 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.319 0.104 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.04 106.5 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.637 0.256 . . . . 0.0 111.027 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.521 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 56.3 p -101.79 -168.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' B' ' 6' ' ' ILE . 73.1 tttt -99.94 120.27 39.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.094 0.473 . . . . 0.0 110.891 -177.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -115.96 121.21 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.664 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.737 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 32.8 mm -95.28 141.06 15.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.664 -176.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.61 ' HD2' HG23 ' B' ' 35' ' ' ILE . 71.0 t80 -126.58 106.74 9.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 59.4 m-85 -92.83 129.27 38.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.876 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.733 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 33.3 p-80 -134.49 159.85 39.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.76 0.314 . . . . 0.0 110.552 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' B' ' 12' ' ' CYS . . . -117.03 9.18 13.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.186 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.46 58.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.178 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 34.7 m -94.45 163.83 21.77 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 13.2 Cg_endo -57.19 -30.75 88.39 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.557 2.171 . . . . 0.0 111.737 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.91 -34.67 63.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.691 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.793 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 34.0 m -67.09 -43.27 82.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 43.9 t -56.44 -54.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.168 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.8 m -63.99 -34.78 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.18 94.71 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.502 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.8 mt-10 -63.22 -50.26 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 96.6 mt-30 -59.54 -33.8 71.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.37 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.58 -68.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -65.86 -48.0 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.63 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.19 -10.83 60.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.637 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -97.93 -25.48 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.843 0.354 . . . . 0.0 110.361 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.32 -33.48 71.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.14 108.73 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.154 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.27 133.9 87.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.851 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.66 -27.52 85.14 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.02 -18.65 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.048 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' B' ' 31' ' ' TYR . 63.9 tttp -91.73 -41.35 10.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.285 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.521 ' HD1' ' H ' ' B' ' 3' ' ' SER . 70.5 m-85 -142.4 143.94 32.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.665 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -76.64 94.1 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.009 0.433 . . . . 0.0 110.071 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 47.2 t -87.58 111.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.706 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.27 108.3 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.57 122.62 47.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.222 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.98 132.48 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -79.89 122.62 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 109.996 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 40.4 tp -124.54 18.45 8.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.471 0.653 . . . . 0.0 109.995 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.35 1.92 70.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.973 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -142.64 -22.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.49 116.74 27.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -89.36 -10.65 45.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.848 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.45 58.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.06 -4.84 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.059 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.61 -43.88 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.195 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -66.64 -37.51 84.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.68 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -48.37 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.52 -39.79 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.02 -38.73 87.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.636 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 62.5 mttm -76.6 -15.02 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.17 -4.54 48.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.03 10.4 62.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.689 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 32.4 t -87.48 112.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -109.53 -4.71 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.533 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.689 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 49.6 m -150.05 154.41 38.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.815 ' HB ' ' HD2' ' B' ' 57' ' ' PRO . 0.2 OUTLIER -87.66 -162.95 0.04 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.51 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.815 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 19.9 Cg_exo 5.3 87.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.743 2.962 . . . . 0.0 114.652 -142.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -148.68 153.97 39.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.684 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.77 111.26 23.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.022 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 24.4 t -101.48 96.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -90.83 111.21 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.339 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 55.86 31.62 18.08 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.078 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.21 -14.1 59.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.028 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 111.84 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.858 0.361 . . . . 0.0 110.125 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.88 110.82 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 111.583 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 68' ' ' ILE . 95.0 m-85 -107.52 97.41 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.689 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -71.87 129.69 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mm -93.0 110.95 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 93.2 m-20 64.49 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.7 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -178.16 88.13 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -76.89 -84.55 0.46 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.177 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.77 154.22 47.34 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.963 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.41 143.25 16.52 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.65 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.79 -23.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.402 0.62 . . . . 0.0 109.418 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.674 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.18 -30.13 70.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.98 -1.24 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.306 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -88.74 -7.01 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.14 -78.92 0.72 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.394 -0.908 . . . . 0.0 111.569 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.316 -0.858 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.741 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -166.37 152.71 8.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.812 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -103.83 169.94 8.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 173.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.763 ' HE2' HG12 ' A' ' 6' ' ' ILE . 87.1 tttt -87.6 133.03 33.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 112.024 -173.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -122.47 115.96 23.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.352 173.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.763 HG12 ' HE2' ' A' ' 4' ' ' LYS . 3.9 mt -104.77 113.81 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 110.866 -173.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -97.84 110.56 23.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.829 0.347 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -100.09 127.56 46.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 33.1 p80 -152.24 176.24 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.344 173.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.95 21.51 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.245 . . . . 0.0 111.577 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.45 77.06 0.58 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.742 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -137.46 159.89 67.54 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.32 -42.79 46.57 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.837 2.358 . . . . 0.0 112.27 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -41.58 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.729 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 37.5 m -61.59 -39.83 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.495 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.25 -47.35 92.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 -41.35 97.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.25 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.1 tt0 -72.87 -43.24 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.198 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -72.77 -33.64 66.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.54 -66.56 0.89 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.24 -42.68 81.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.612 0.244 . . . . 0.0 111.424 -173.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -73.01 -7.7 52.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.278 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -99.04 -23.7 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.997 0.427 . . . . 0.0 110.096 172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.63 76.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.09 91.32 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.19 127.21 92.66 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.696 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.75 -17.79 60.96 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.987 2.458 . . . . 0.0 112.636 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -86.87 -14.93 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.244 0.545 . . . . 0.0 109.992 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -103.5 -37.36 7.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.856 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.566 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 90.7 m-85 -139.88 147.21 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.057 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -83.38 95.8 8.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -84.0 119.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.644 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.86 113.43 20.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.67 119.07 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.747 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.34 125.45 70.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.045 0.45 . . . . 0.0 110.581 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -92.9 123.74 36.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.692 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.2 mt -88.24 -3.2 58.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.529 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.67 -29.46 16.07 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.642 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -65.5 -45.54 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.25 119.95 23.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.505 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 65.8 mttp -69.56 -24.93 63.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.187 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.65 84.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -75.39 -12.16 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.153 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 42' ' ' LYS . 72.2 mt -67.07 -43.18 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.65 85.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.246 176.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.65 95.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.31 -52.75 60.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.824 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -75.0 -10.65 59.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.276 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.86 -12.27 48.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.79 16.11 14.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.116 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.97 116.06 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.256 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -95.53 -32.63 12.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -153.04 175.25 13.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.483 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.94 147.17 64.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.623 0.249 . . . . 0.0 110.533 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HG3' ' SG ' ' A' ' 15' ' ' CYS . 5.6 Cg_exo -77.85 150.25 89.35 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 123.545 -1.44 . . . . 0.0 112.436 -0.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.34 117.56 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.95 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 61' ' ' ILE . 2.1 tt -100.46 102.12 13.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 47.1 t -79.01 95.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.956 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.475 HG12 HD22 ' A' ' 59' ' ' LEU . 69.2 mt -90.7 110.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.36 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.64 -2.94 2.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.46 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.08 -29.57 2.62 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.394 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.34 128.33 36.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.662 0.268 . . . . 0.0 110.627 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.51 119.09 22.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.069 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB3' HG23 ' B' ' 68' ' ' ILE . 81.6 m-85 -111.1 107.44 16.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.292 0.567 . . . . 0.0 110.467 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 52.0 m80 -81.01 109.2 15.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.624 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -89.85 106.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.667 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.8 96.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.896 0.747 . . . . 0.0 111.093 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.65 104.82 0.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.083 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.57 -52.07 0.88 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.756 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.65 136.88 34.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.644 0.259 . . . . 0.0 110.473 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.11 165.26 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.088 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 tt -75.2 -8.77 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.366 0.603 . . . . 0.0 110.106 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.6 -42.8 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.771 172.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.9 -14.46 62.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.249 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.4 tp -85.75 -6.69 59.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.314 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -124.09 159.89 28.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.366 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.63 54.04 4.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.771 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.396 -178.445 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.356 0.598 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.73 -172.65 4.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.563 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -94.49 178.53 5.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -87.76 126.69 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -119.78 97.28 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.3 pt -105.39 115.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.975 0.417 . . . . 0.0 112.013 -174.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' B' ' 59' ' ' LEU . 38.7 t80 -90.79 133.04 35.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.403 ' HE2' HD12 ' B' ' 6' ' ' ILE . 73.8 m-85 -122.8 123.02 40.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 -178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.717 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 31.0 p80 -146.15 168.18 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.12 25.47 10.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.13 29.77 60.0 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.729 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' B' ' 16' ' ' VAL . 4.1 m -85.05 145.23 42.84 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 -35.74 84.45 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.465 2.11 . . . . 0.0 111.713 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.35 -45.19 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.636 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 5.9 p -87.21 -9.02 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 12' ' ' CYS . 74.2 t -64.66 -51.46 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -64.09 -34.89 79.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.32 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 29.7 tt0 -59.27 -52.31 66.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 177.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -58.31 -41.35 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.089 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.72 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -71.46 -38.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -75.41 -12.52 60.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.978 0.418 . . . . 0.0 111.204 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.21 -24.28 15.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 0.0 109.817 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.33 -46.22 56.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.75 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.6 mt -89.04 112.8 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.636 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.26 151.9 40.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.074 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 31.4 Cg_exo -59.96 -21.04 63.08 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.585 2.856 . . . . 0.0 113.465 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.2 m -74.85 -44.63 48.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.229 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -71.27 -45.12 63.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.17 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 72.5 m-85 -144.07 135.8 26.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 32.4 m -75.26 96.42 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.185 0.517 . . . . 0.0 110.516 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 36.6 t -88.43 146.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.285 -175.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -145.22 130.76 18.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.611 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mm -100.4 121.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.821 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -119.91 128.74 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.454 . . . . 0.0 110.608 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -96.61 117.23 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.367 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -96.39 9.82 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.55 21.32 29.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.507 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.6 m -147.97 -71.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.668 -0.313 . . . . 0.0 110.692 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -73.86 116.83 14.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.192 0.52 . . . . 0.0 110.513 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.8 mttp -89.62 -14.16 35.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.49 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.229 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.531 HH21 ' CD ' ' B' ' 47' ' ' GLU . 0.6 OUTLIER -62.49 -29.06 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.787 178.134 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' B' ' 42' ' ' LYS . 72.1 mt -62.55 -42.44 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -67.51 -28.38 67.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.207 0.527 . . . . 0.0 110.896 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.531 ' CD ' HH21 ' B' ' 44' ' ' ARG . 34.8 mt-10 -80.22 -29.68 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.813 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.36 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.534 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 45.7 mt-10 -51.19 -47.12 62.29 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.645 0.736 . . . . 0.0 109.95 173.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -82.97 -11.18 58.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.463 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.89 31.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 0.0 110.832 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.74 8.92 27.53 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.732 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.98 105.54 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -93.79 -28.86 15.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.762 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.622 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.3 m -146.72 157.96 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.777 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.643 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.7 m -84.69 -172.29 0.35 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.603 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.643 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.1 Cg_exo 15.27 84.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.106 3.204 . . . . 0.0 115.375 -137.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -158.59 175.84 13.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 113.532 -1.667 . . . . 0.0 109.644 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.568 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 2.3 pt? -150.93 141.58 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.114 0.483 . . . . 0.0 111.081 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 6' ' ' ILE . 29.3 t -95.4 101.22 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.423 HG13 ' HG ' ' B' ' 59' ' ' LEU . 68.3 mt -96.7 115.96 37.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.188 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 73.26 -15.56 0.53 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.595 0.559 . . . . 0.0 111.489 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 0.77 3.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.168 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.0 123.94 48.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.628 0.251 . . . . 0.0 110.341 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 60' ' ' VAL . . . -88.31 105.38 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.927 0.394 . . . . 0.0 111.28 -177.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.413 ' O ' HD23 ' B' ' 59' ' ' LEU . 85.6 m-85 -97.22 132.58 42.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.622 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 69.3 m80 -96.74 120.43 37.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 66' ' ' PHE . 43.4 mt -109.41 109.96 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.646 -173.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 63.18 100.48 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 124.216 0.947 . . . . 0.0 109.174 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -43.57 102.22 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.224 0.953 . . . . 0.0 111.608 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.16 -100.14 0.53 Allowed Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.87 151.43 45.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.056 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.25 147.93 46.63 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.869 -1.158 . . . . 0.0 110.482 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 18.6 tt -60.11 -33.11 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.398 0.599 . . . . 0.0 110.681 -176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.873 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 2.7 m-20 -79.4 1.49 25.14 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -82.99 -23.05 33.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.51 -40.72 5.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.15 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.873 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 51.0 tttm -61.87 130.46 45.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.242 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.63 98.43 0.62 Allowed Glycine 0 CA--C 1.509 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.54 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -174.081 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.657 0.265 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 87.99 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 0.0 110.124 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -75.23 162.92 28.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -89.26 120.14 30.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.068 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -116.28 113.21 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.208 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.77 124.8 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.56 0.219 . . . . 0.0 110.745 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -109.27 112.36 24.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.876 0.37 . . . . 0.0 110.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.79 133.16 45.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.615 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 21.2 p80 -158.41 171.12 20.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 172.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.94 12.57 16.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 3.34 84.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.104 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.85 151.29 89.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.502 0.151 . . . . 0.0 110.643 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.05 -40.78 75.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.941 2.427 . . . . 0.0 112.028 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.25 -37.51 63.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.52 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.907 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 47.4 m -73.4 -39.2 65.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.881 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -57.35 -44.28 83.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.482 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 m -61.43 -48.12 82.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.54 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.63 -60.58 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -76.62 -16.74 59.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.8 -57.51 2.72 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.519 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 68' ' ' ILE . 47.9 t -70.21 -39.56 77.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.44 -3.96 30.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.502 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -107.21 -21.69 12.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 110.096 174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.57 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.786 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.87 110.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.14 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.31 131.2 94.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.887 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.57 -27.0 69.45 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.889 2.393 . . . . 0.0 112.553 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -79.59 -16.05 56.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.582 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -87.02 -57.94 2.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 81.7 m-85 -132.07 127.36 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.722 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 m -77.09 107.64 9.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 111.394 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.64 116.49 29.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.78 122.2 46.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.598 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.84 130.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.959 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -124.13 114.32 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.298 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -89.87 117.78 28.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HB3' HG12 ' A' ' 45' ' ' ILE . 90.4 mt -76.5 -7.01 54.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.49 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.56 -8.69 73.44 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.737 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.6 m -84.03 -33.21 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.32 135.68 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.276 -173.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 97.3 mttt -80.74 -21.15 41.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.113 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.54 -34.17 69.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.105 0.479 . . . . 0.0 110.246 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -73.42 -19.28 61.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -67.43 -41.3 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 172.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -64.71 -35.04 79.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.237 176.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.72 -51.07 70.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.153 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.11 -44.04 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.95 -46.66 84.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.007 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 63.7 mttp -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.22 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.11 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.306 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.59 21.4 1.03 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.694 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -86.99 106.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -105.35 -8.82 17.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.892 -176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m -148.02 158.24 43.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 57' ' ' PRO . 26.2 m -114.14 137.52 22.5 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.472 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.907 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.2 Cg_endo -91.89 168.93 24.99 Favored 'Cis proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.411 -1.495 . . . . 0.0 113.061 -0.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -146.26 145.3 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 HD21 ' HB1' ' A' ' 5' ' ' ALA . 6.2 tt -123.46 121.41 35.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.206 0.527 . . . . 0.0 109.633 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 40.5 t -90.22 106.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.281 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.81 93.14 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 51.38 46.63 26.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.53 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 60' ' ' VAL . . . 111.78 -37.7 3.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.826 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.66 111.65 20.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 110.766 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -90.05 108.97 20.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.397 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.39 123.29 48.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.225 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 66.1 m80 -74.44 118.75 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 22' ' ' VAL . 54.5 mt -97.19 104.19 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.81 0.338 . . . . 0.0 110.766 -176.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 t30 69.94 93.23 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.303 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.55 114.23 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.73 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.27 -79.07 1.17 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.973 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.32 154.53 47.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.548 0.214 . . . . 0.0 110.99 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.88 146.49 35.23 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -69.45 -26.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.965 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.647 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 47.7 m-20 -78.1 -10.24 59.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.371 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.58 -29.02 59.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.472 0.653 . . . . 0.0 109.486 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.2 -4.19 56.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.95 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.647 ' HG2' ' HA ' ' A' ' 75' ' ' ASP . 35.2 mmtp -71.96 -16.13 62.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.021 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.4 35.89 3.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.618 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.254 179.489 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.679 ' HA ' ' O ' ' B' ' 30' ' ' LYS . . . -95.97 94.39 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.826 0.346 . . . . 0.0 110.169 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -107.39 167.87 9.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.245 0.545 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.35 121.72 26.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -120.26 108.3 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -99.68 134.9 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.553 ' HD1' HG23 ' B' ' 35' ' ' ILE . 55.3 t80 -118.62 105.27 11.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.217 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.688 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 72.3 m-85 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.292 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.543 ' HB2' ' CB ' ' B' ' 15' ' ' CYS . 8.5 p80 -149.1 157.7 43.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.843 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.02 -53.23 2.64 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.18 3.22 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.396 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.619 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 89.6 m -148.52 -63.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 35.8 Cg_exo -56.97 -52.53 6.53 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.831 1.687 . . . . 0.0 113.263 -168.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' B' ' 71' ' ' GLY . 65.4 t -64.61 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.953 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' B' ' 9' ' ' HIS . 5.3 p -93.37 -41.48 9.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' B' ' 12' ' ' CYS . 75.9 t -60.66 -37.98 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 117.976 0.353 . . . . 0.0 111.673 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.9 m -61.25 -45.29 95.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -36.96 78.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.95 -57.07 13.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.533 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.75 -21.27 62.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.828 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 -57.67 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.134 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 59' ' ' LEU . 42.6 t -71.21 -39.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.759 -173.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.6 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.773 0.32 . . . . 0.0 111.475 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -104.98 -9.79 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.557 . . . . 0.0 110.261 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -87.4 -32.49 19.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.203 175.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.97 130.78 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.066 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.64 128.75 94.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.628 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.4 -21.53 71.35 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.63 2.22 . . . . 0.0 111.819 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -77.93 -35.44 50.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.134 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' B' ' 2' ' ' ALA . 53.1 tttp -72.97 -48.81 33.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.722 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -131.72 130.02 41.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.81 98.99 4.3 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.92 0.39 . . . . 0.0 110.392 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 44.4 t -82.37 108.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.061 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -104.79 106.62 17.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.906 177.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.553 HG23 ' HD1' ' B' ' 7' ' ' PHE . 37.2 mt -91.57 130.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.38 120.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -90.83 116.74 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.788 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.511 ' CD1' HG11 ' B' ' 56' ' ' VAL . 80.8 mt -80.51 -23.48 40.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.68 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.49 70.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.916 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.7 m -77.29 -43.91 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.66 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' B' ' 43' ' ' ALA . 28.7 t70 -134.63 115.04 13.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.69 -9.98 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.064 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' B' ' 41' ' ' ASP . . . -68.31 -27.03 65.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.311 0.577 . . . . 0.0 109.861 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -72.56 -20.62 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.403 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.81 -34.8 79.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.27 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.55 -50.16 73.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.53 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.28 90.53 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.5 -46.02 91.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 96.0 mttt -64.82 -38.0 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.63 -32.57 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.303 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.02 9.26 10.87 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.681 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.62 104.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.403 ' O ' HG12 ' B' ' 74' ' ' ILE . 8.4 mtmp? -87.78 -43.93 11.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.494 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.638 ' O ' ' HD2' ' B' ' 67' ' ' HIS . 22.1 m -103.48 111.31 23.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.759 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 0.0 OUTLIER -76.2 -154.04 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.033 -177.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.759 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.0 OUTLIER 11.38 91.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.664 2.243 . . . . 0.0 113.882 -136.711 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -146.75 162.89 37.61 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.785 -172.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 68' ' ' ILE . 61.6 tp -114.73 116.94 29.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.394 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 40.1 t -95.38 99.77 9.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.954 0.407 . . . . 0.0 110.46 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.47 92.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.88 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.41 75.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.071 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.08 -31.05 3.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.476 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.27 111.74 23.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.999 0.4 . . . . 0.0 110.897 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.99 107.22 19.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.007 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -94.49 106.15 18.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.947 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.638 ' HD2' ' O ' ' B' ' 55' ' ' SER . 50.6 m80 -63.64 111.39 2.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.574 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' B' ' 59' ' ' LEU . 60.0 mt -80.75 100.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.48 HD22 HG22 ' B' ' 68' ' ' ILE . 19.6 m-80 58.69 -150.71 0.43 Allowed 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -110.25 80.62 1.33 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 165.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -65.09 -66.15 2.59 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.65 -0.785 . . . . 0.0 111.222 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.717 ' HB3' HG23 ' B' ' 56' ' ' VAL . . . -139.47 177.41 7.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 172.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.78 141.4 12.38 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.727 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' LYS . 46.1 mm -59.37 -40.55 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.32 -35.07 71.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.774 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.27 -35.47 25.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.035 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -72.64 -24.27 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' B' ' 78' ' ' LYS . 3.0 mmpt? -71.96 89.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.004 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.53 35.49 0.16 Allowed Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.826 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--O 1.248 1.023 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -177.618 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.623 0.249 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.64 91.31 4.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -93.22 162.75 13.89 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 32' ' ' THR . 64.8 pttt -90.59 140.68 29.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.616 0.722 . . . . 0.0 111.986 -173.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.46 123.61 45.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.93 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.746 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 50.6 mm -95.35 110.99 25.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.205 -173.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HD2' HG23 ' A' ' 35' ' ' ILE . 55.2 t80 -87.42 93.29 9.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.645 ' CE1' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -97.17 124.02 41.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.624 -173.661 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 12.3 p80 -148.38 177.47 9.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.791 0.329 . . . . 0.0 110.839 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.35 17.47 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.28 5.71 61.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.9 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -63.49 129.75 93.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.81 -25.01 19.85 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 123.551 2.834 . . . . 0.0 113.953 -172.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' HD3' ' A' ' 57' ' ' PRO . 29.3 m -69.13 -14.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.48 -17.26 32.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.635 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.06 -55.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -69.67 -35.57 75.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.34 79.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 32.8 tt0 -68.72 -38.66 80.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.262 177.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -78.56 -8.18 58.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.622 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.06 -66.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.73 0.3 . . . . 0.0 111.642 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.7 -48.31 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.68 -8.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.794 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -88.2 -33.36 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.483 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -64.6 -51.44 62.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.519 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.9 mt -88.17 109.65 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.14 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB2' ' A' ' 29' ' ' SER . 4.6 p-10 -94.39 155.87 39.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 20.1 Cg_exo -67.23 -4.84 12.43 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.271 2.648 . . . . 0.0 114.008 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.425 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 39.2 m -82.21 -38.08 25.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.451 . . . . 0.0 110.12 176.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -79.56 -49.0 12.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 72.4 m-85 -133.63 151.93 51.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' ' CB ' ' A' ' 4' ' ' LYS . 2.5 m -75.48 89.5 2.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.925 0.393 . . . . 0.0 110.01 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.73 102.69 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.014 0.435 . . . . 0.0 110.701 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -107.79 117.62 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.416 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.531 HG23 ' HD2' ' A' ' 7' ' ' PHE . 63.7 mt -92.05 123.51 44.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.915 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.08 139.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.504 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -113.57 123.71 50.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.645 ' HG ' ' CE1' ' A' ' 8' ' ' TYR . 18.5 mt -82.38 -27.87 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 4.28 21.45 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.738 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 m -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.656 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -153.29 106.52 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.621 ' HA ' HG12 ' A' ' 45' ' ' ILE . 53.8 mtmt -89.25 2.89 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.296 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 -29.06 65.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.3 mtm105 -85.15 6.44 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.074 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.621 HG12 ' HA ' ' A' ' 42' ' ' LYS . 34.9 mm -64.45 -42.88 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 173.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . . . -67.14 -30.42 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.418 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.662 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.5 -35.52 81.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.419 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' OE1' ' HA ' ' A' ' 46' ' ' ALA . 40.6 mt-10 -59.27 -38.78 80.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.215 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -64.8 -45.5 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.6 -18.76 62.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.02 25.68 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.898 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 61.9 t -80.16 106.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.069 0.462 . . . . 0.0 110.035 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -96.4 -22.69 17.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.465 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 51.1 m -152.14 160.24 43.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.291 178.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 24.2 m -120.12 144.41 37.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.351 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 90.7 Cg_endo -80.95 155.99 83.96 Favored 'Cis proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.284 -1.548 . . . . 0.0 113.047 2.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -139.44 131.86 28.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.978 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.0 tp -96.78 102.91 14.78 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 36.3 t -85.25 96.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.337 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.5 mt -93.21 102.21 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.312 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 65.62 2.82 2.19 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.561 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.64 -30.69 2.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.459 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 120.48 26.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.689 0.28 . . . . 0.0 110.507 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -91.03 110.64 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.938 0.399 . . . . 0.0 110.977 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' B' ' 68' ' ' ILE . 98.9 m-85 -99.67 106.74 18.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.019 176.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HD2' ' O ' ' A' ' 55' ' ' SER . 51.1 m80 -69.99 137.52 51.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.597 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 54.6 mt -108.41 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.678 HD21 ' HD1' ' B' ' 66' ' ' PHE . 89.1 m-20 67.17 -175.59 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.803 -178.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.91 105.71 15.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.14 -79.36 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.933 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.19 119.85 14.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.62 149.67 45.41 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.642 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.0 -27.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 110.919 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.19 -37.79 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 111.518 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -78.03 -15.57 58.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.84 -28.88 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.311 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -82.11 -42.09 19.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.45 -179.1 42.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.197 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.9 179.009 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 31' ' ' TYR . . . -90.19 140.07 30.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.973 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 40.9 m -76.15 138.06 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -87.06 108.96 19.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 111.445 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.45 105.03 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.701 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 45.8 mm -95.3 123.29 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.513 ' HD2' HG23 ' B' ' 35' ' ' ILE . 81.8 t80 -104.09 104.42 14.36 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.47 127.28 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.242 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' HIS . . . . . 0.874 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 12.6 p80 -141.5 -179.97 6.46 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.707 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.74 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.523 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -15.72 52.42 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.181 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.44 149.48 28.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 122.574 0.35 . . . . 0.0 111.285 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.54 -25.65 50.59 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.887 2.391 . . . . 0.0 112.884 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.98 -33.62 53.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.5 m -63.58 -42.71 98.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.906 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.65 -48.59 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -60.77 -40.29 91.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.983 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.92 72.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.48 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 30.3 tt0 -66.68 -49.4 66.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -67.26 -28.69 68.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.72 -71.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.63 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.7 t -66.91 -52.07 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.678 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.74 -5.03 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.83 -175.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -108.67 -12.68 14.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.45 0.643 . . . . 0.0 110.031 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.68 -27.5 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.513 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.36 137.39 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.633 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 10.5 t70 -80.07 120.2 78.96 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -24.31 79.16 Favored 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.185 2.59 . . . . 0.0 113.294 -177.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.8 m -94.07 -15.35 24.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.21 0.528 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 84.2 tttt -86.53 -46.06 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.733 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 72.1 m-85 -135.17 137.09 42.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.201 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -78.38 105.35 9.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.76 137.18 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.649 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HB3' HD13 ' B' ' 6' ' ' ILE . 36.2 tt0 -138.87 121.99 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' B' ' 7' ' ' PHE . 67.1 mt -95.36 125.41 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.486 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.69 115.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.931 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -89.23 112.45 23.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.818 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.522 HD12 ' CG1' ' B' ' 56' ' ' VAL . 58.9 mt -85.55 2.25 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.59 73.32 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.065 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 p -83.46 -75.13 0.34 Allowed 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.069 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' B' ' 44' ' ' ARG . 2.2 m-20 -85.16 105.17 15.67 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.718 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.436 ' HG3' HD12 ' B' ' 45' ' ' ILE . 86.0 tttt -65.78 -24.09 66.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 0.0 109.98 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -26.66 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.38 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' B' ' 41' ' ' ASP . 82.1 mmt-85 -71.75 -26.1 62.32 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' B' ' 42' ' ' LYS . 73.9 mt -58.64 -42.94 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.08 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.821 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.12 -36.97 80.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.99 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.265 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.11 -39.71 94.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.549 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.85 -35.31 80.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.717 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.74 66.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.324 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.79 18.03 5.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.271 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.07 106.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' B' ' 67' ' ' HIS . 46.9 mttm -88.12 -22.92 23.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.9 m -151.71 150.58 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.551 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 5.6 m -84.88 -163.34 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.532 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.692 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.874 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.0 OUTLIER 11.18 91.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.625 2.883 . . . . 0.0 114.395 -135.233 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.93 163.91 37.58 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.113 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.721 ' HB2' HD11 ' B' ' 68' ' ' ILE . 55.5 tp -118.59 119.53 34.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.077 0.465 . . . . 0.0 110.517 -178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.701 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 59.9 t -102.75 109.5 26.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.406 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.54 96.16 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 12.8 t70 59.11 24.6 12.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.488 173.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.1 -31.99 3.54 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.858 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 111.76 20.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.38 . . . . 0.0 110.925 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.27 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.752 -175.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.678 ' HD1' HD21 ' A' ' 69' ' ' ASN . 89.8 m-85 -113.24 128.49 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.92 176.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' B' ' 54' ' ' LYS . 35.7 m80 -78.15 135.7 37.7 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.072 -175.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.721 HD11 ' HB2' ' B' ' 59' ' ' LEU . 63.1 mt -103.65 101.86 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 61.05 -159.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -172.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -106.87 88.85 2.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -68.39 -90.18 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 177.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 142.79 36.44 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.884 172.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.93 137.15 25.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.1 -1.048 . . . . 0.0 111.309 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 tt -68.55 -24.28 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.516 0.674 . . . . 0.0 109.903 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.55 -27.96 51.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.162 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.52 -32.42 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.36 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.42 -35.96 72.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.269 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -82.78 84.79 7.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.518 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.81 135.11 3.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.493 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.392 176.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -76.58 163.47 26.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.708 0.289 . . . . 0.0 110.353 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD3' HD11 ' A' ' 6' ' ' ILE . 24.1 ttmm -106.36 126.03 51.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.105 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.66 100.21 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.857 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.453 HD11 ' HD3' ' A' ' 4' ' ' LYS . 15.4 mt -95.35 122.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.151 -176.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' HB3' HG12 ' A' ' 35' ' ' ILE . 41.7 t80 -107.08 103.37 12.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.789 0.328 . . . . 0.0 110.668 -174.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.404 ' CD1' HG21 ' A' ' 53' ' ' VAL . 63.5 m-85 -94.66 130.21 41.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 17.0 p80 -160.17 159.37 31.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 173.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.82 13.64 34.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.55 13.92 77.22 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 29.4 m -67.14 152.14 96.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.85 -46.76 28.66 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.849 2.366 . . . . 0.0 112.403 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -62.32 -35.02 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.732 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 59.2 m -67.91 -41.45 82.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.438 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.3 -39.46 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -60.65 -44.67 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.55 -38.52 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.17 -50.92 64.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 0.0 110.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.08 -36.58 84.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.749 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.24 -68.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.729 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.73 -50.48 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.813 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.8 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 111.763 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.75 -17.35 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.357 . . . . 0.0 110.805 176.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.2 -21.68 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -79.85 129.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.933 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.49 133.92 33.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.331 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 21.7 Cg_exo -66.25 -5.03 11.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.046 2.498 . . . . 0.0 112.499 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -72.8 -47.87 42.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.209 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -89.1 -43.87 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 61.2 m-85 -126.42 122.5 35.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 111.444 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.9 m -80.32 106.15 12.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.589 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -80.88 107.41 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.923 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 36.1 mt-10 -104.19 95.43 5.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.02 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.401 HG12 ' HB3' ' A' ' 7' ' ' PHE . 69.4 mt -82.36 127.71 39.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.88 113.74 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.115 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -83.73 119.37 24.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.52 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -101.57 10.43 40.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.05 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.61 25.02 25.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.282 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.66 -51.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.101 0.477 . . . . 0.0 110.051 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' CG ' ' HG3' ' A' ' 44' ' ' ARG . 12.8 t0 -84.61 108.51 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.88 -4.41 58.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.086 0.47 . . . . 0.0 111.297 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.16 -30.23 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.238 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' CG ' ' A' ' 41' ' ' ASP . 57.4 mtt180 -74.1 -11.91 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.058 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 67.7 mt -60.43 -39.53 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.28 70.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.864 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.29 -43.11 61.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.914 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.88 -43.02 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.425 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 41.6 mt-10 -51.29 -45.47 62.17 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.419 0.628 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -84.99 -25.68 27.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.207 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -23.48 63.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.7 5.55 27.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.85 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 54.3 t -82.03 102.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.188 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -109.27 -5.85 15.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.263 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.601 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.6 m -151.92 167.43 28.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.755 174.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.01 141.67 42.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.732 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.0 Cg_endo -85.03 148.83 49.46 Favored 'Cis proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.098 -1.626 . . . . 0.0 113.068 1.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.71 126.8 47.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.964 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.68 101.42 12.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.065 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.3 t -84.2 102.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -110.92 115.88 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.962 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.24 25.49 15.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.006 0.432 . . . . 0.0 111.244 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.23 -19.93 52.06 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.3 112.47 21.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -86.47 103.46 15.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.65 104.95 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.881 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -76.91 95.33 4.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.495 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -88.16 111.53 22.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.984 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 66.19 102.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.795 0.684 . . . . 0.0 111.124 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -71.62 101.69 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.894 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.6 -55.51 1.15 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.4 47.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -99.08 171.75 24.86 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -69.62 -24.45 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -30.85 71.0 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.113 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -71.03 -23.18 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.21 -18.96 22.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.401 0.62 . . . . 0.0 109.812 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 tptp . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.39 -177.778 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.7 152.18 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -89.55 145.75 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.384 0.611 . . . . 0.0 111.654 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.05 119.61 39.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.417 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.91 109.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.817 0.341 . . . . 0.0 110.489 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' B' ' 68' ' ' ILE . 87.8 t80 -100.46 111.98 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.442 ' CD1' HG21 ' B' ' 53' ' ' VAL . 54.6 m-85 -94.95 131.59 40.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.097 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.762 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 7.6 p80 -142.82 173.52 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.349 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.3 17.78 3.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.425 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.42 67.51 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.061 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 m -59.02 153.55 44.22 Favored Pre-proline 0 C--N 1.328 -0.368 0 C-N-CA 122.343 0.257 . . . . 0.0 110.83 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.71 -38.02 65.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.065 2.51 . . . . 0.0 113.029 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.06 -28.49 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.383 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 14.3 m -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.065 0.46 . . . . 0.0 109.977 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 21.9 t -62.77 -48.98 85.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.532 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -57.43 -47.01 82.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.85 91.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 28.1 tt0 -67.58 -40.19 84.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.883 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 25.8 mt-30 -65.34 -53.93 36.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.279 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.69 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.65 -43.63 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.848 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.1 -10.0 59.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -102.42 -24.12 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.724 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.11 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.456 0.646 . . . . 0.0 109.724 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.4 mt -102.58 82.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.588 ' OD1' ' HE2' ' B' ' 30' ' ' LYS . 5.9 p-10 -78.4 153.01 79.0 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.119 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 39.4 Cg_exo -62.41 -9.98 17.32 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.79 2.993 . . . . 0.0 114.358 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.49 ' HB3' ' OD2' ' B' ' 27' ' ' ASP . 22.9 t -71.43 -24.46 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.526 0.679 . . . . 0.0 109.254 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.588 ' HE2' ' OD1' ' B' ' 27' ' ' ASP . 45.7 mtmt -102.32 -55.41 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.562 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 92.1 m-85 -137.0 120.97 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.866 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.5 m -68.59 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.553 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.61 119.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.6 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.38 111.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.913 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.33 113.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.469 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -100.33 111.18 23.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.5 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.83 -13.27 61.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.096 0.474 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.49 -26.24 74.71 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.556 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 27.0 m -86.22 -49.48 7.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.598 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' B' ' 44' ' ' ARG . 28.5 t70 -117.05 109.5 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.338 -177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -86.3 -24.49 25.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.0 3.78 7.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.002 0.43 . . . . 0.0 111.143 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.514 ' HB2' ' OD2' ' B' ' 41' ' ' ASP . 3.4 ttm180 -92.44 -0.53 57.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 72.9 mt -58.36 -42.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 175.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.81 73.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.266 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.57 -45.81 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.94 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -56.69 -43.78 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 53.3 mt-10 -53.45 -51.92 61.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -72.07 -22.61 61.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.431 -175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.25 -23.0 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.584 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.77 7.78 33.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.75 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 48.7 t -81.1 105.0 10.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.552 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.16 -17.06 24.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -151.22 151.18 31.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.645 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.2 m -74.52 -167.74 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.762 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 9.8 Cg_exo 11.14 84.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.442 0 C-N-CA 123.79 2.993 . . . . 0.0 114.581 -138.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.42 155.09 34.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.112 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 HD11 ' B' ' 68' ' ' ILE . 2.4 pt? -130.19 137.53 50.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.198 0.523 . . . . 0.0 111.214 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.9 t -100.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.254 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -104.79 111.29 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.595 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.95 8.84 3.37 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.146 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.56 -25.64 5.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.101 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.69 120.87 28.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.746 0.308 . . . . 0.0 110.624 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.51 124.27 34.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.311 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -117.89 123.03 44.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.336 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 70.5 m80 -87.77 120.55 29.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.364 -177.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.526 HD11 HD22 ' B' ' 59' ' ' LEU . 56.0 mt -86.57 97.91 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t30 67.15 12.67 9.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.909 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 58.23 84.72 0.1 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.175 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.2 -87.53 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.119 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.66 137.09 34.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.63 140.03 48.21 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.389 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.88 -27.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.081 0.467 . . . . 0.0 110.572 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 15.7 t70 -84.34 -3.65 58.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.71 -25.86 37.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.193 0.52 . . . . 0.0 110.068 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.11 -3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.857 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 29.5 tttm . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.758 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.485 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 15.2 m -78.44 -171.57 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 32' ' ' THR . 77.0 tttt -115.22 150.48 36.07 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.383 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -139.14 111.27 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.869 0.366 . . . . 0.0 110.488 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.666 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 42.7 mm -97.07 122.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.107 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' ILE . 54.7 t80 -107.23 102.0 11.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 61.7 m-85 -92.15 131.62 37.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.341 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.727 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.9 p80 -157.25 167.82 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.669 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 12.03 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.713 0.292 . . . . 0.0 111.745 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.13 6.48 84.58 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.055 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.9 m -72.06 151.24 92.66 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.602 0.201 . . . . 0.0 110.552 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.17 -41.25 73.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.62 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.206 0.527 . . . . 0.0 110.534 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.687 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 56.9 m -70.33 -42.06 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.16 -37.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -60.92 -46.78 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.604 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.02 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.4 tt0 -64.77 -55.3 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.72 -8.09 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -62.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.587 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.79 -44.29 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.144 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -78.32 0.2 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.701 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -97.91 -27.04 14.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -76.8 -32.41 57.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.528 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.84 128.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.884 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -85.61 132.27 45.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.54 -19.58 68.16 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.964 2.443 . . . . 0.0 113.08 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -98.7 7.35 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.18 0.514 . . . . 0.0 110.411 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 58.3 tttp -113.65 -37.86 4.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 57.8 m-85 -135.07 141.94 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.57 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.545 ' HB ' ' HG3' ' A' ' 4' ' ' LYS . 6.9 m -84.52 95.4 8.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.441 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 48.5 t -88.95 116.38 30.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -172.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -117.85 113.65 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.646 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' A' ' 7' ' ' PHE . 70.3 mt -89.39 128.41 41.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.159 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.9 t -117.5 116.74 52.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -85.07 110.27 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.437 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 56' ' ' VAL . 91.4 mt -85.61 -1.29 56.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.29 -28.96 21.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.059 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 m -75.05 -55.36 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 110.793 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' OD2' ' HG3' ' A' ' 44' ' ' ARG . 25.2 t70 -115.68 138.07 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.608 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.34 -19.28 25.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.595 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.15 63.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.075 0.464 . . . . 0.0 110.525 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HG3' ' OD2' ' A' ' 41' ' ' ASP . 85.9 mtt-85 -67.75 -22.01 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -66.31 -32.62 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.6 93.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.53 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.75 -46.12 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.22 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.57 -46.89 87.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.19 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.51 -46.05 91.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.19 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -75.81 -12.25 60.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.2 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.25 -18.83 24.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.1 11.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.7 t -82.76 126.21 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.308 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -101.09 -39.44 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.02 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -145.44 169.59 18.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 -173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.727 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.9 m -129.57 151.51 78.12 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.01 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.687 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 65.1 Cg_endo -74.67 140.28 66.44 Favored 'Cis proline' 0 C--O 1.234 0.317 0 C-N-CA 123.067 -1.639 . . . . 0.0 113.029 2.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -112.81 145.66 40.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 tp -123.2 101.98 7.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.904 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.666 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 48.7 t -85.15 99.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.854 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.83 98.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.7 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 59.95 19.6 8.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.972 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.6 -12.08 9.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.725 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.83 125.75 41.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.613 -0.345 . . . . 0.0 110.222 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.25 104.48 17.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.019 0.438 . . . . 0.0 111.518 -174.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -106.05 164.16 12.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -128.93 142.68 50.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.725 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.4 mt -131.92 100.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.368 0.417 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 67.11 121.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.705 0.802 . . . . 0.0 112.025 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -73.46 95.23 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.49 -51.38 2.19 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -139.28 154.88 48.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.315 -0.443 . . . . 0.0 109.87 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.503 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -119.1 143.98 17.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.726 -178.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 17.4 tt -63.45 -28.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 110.802 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -35.28 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.624 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.11 -34.36 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.257 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 85.0 mt -55.14 -48.99 72.93 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.625 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.221 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -56.01 149.14 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.87 119.73 31.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.081 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.97 123.81 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.78 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -103.86 119.24 52.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.07 0.462 . . . . 0.0 110.571 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.461 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.1 t80 -95.3 122.52 38.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.348 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -105.96 124.15 49.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.469 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.948 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 5.9 p80 -135.62 172.04 13.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.408 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.9 0.31 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.598 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.0 -3.22 87.12 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.713 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 p -74.94 161.59 76.96 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.927 -0.161 . . . . 0.0 110.682 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.94 -31.18 26.29 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.34 2.694 . . . . 0.0 113.466 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.06 -29.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.464 . . . . 0.0 110.846 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 39.6 m -68.47 -32.45 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.0 -48.37 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -58.42 -47.11 85.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.06 81.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.201 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 32.3 tt0 -64.68 -57.53 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -67.29 -31.3 71.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.061 -172.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.84 -64.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.979 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.07 -46.1 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.45 -4.15 31.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.719 0.295 . . . . 0.0 111.61 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -110.95 -16.6 13.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.848 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.21 -46.4 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.136 0.493 . . . . 0.0 109.953 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.84 111.71 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 11.1 t70 -68.8 126.82 93.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.237 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 23.5 Cg_exo -65.19 -15.46 50.31 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.164 2.576 . . . . 0.0 113.176 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.76 -15.57 34.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.406 0.622 . . . . 0.0 109.526 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -99.35 -36.08 9.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.169 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 97.5 m-85 -136.69 160.05 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.232 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 38.3 m -95.81 105.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.537 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.8 111.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.625 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -108.1 123.07 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' HD2' ' B' ' 7' ' ' PHE . 64.6 mt -102.08 127.41 55.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 -175.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.96 132.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.9 114.45 23.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.074 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.6 tp -109.73 13.97 23.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.465 0.65 . . . . 0.0 110.188 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 30.84 8.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.277 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.6 m -153.89 -53.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.811 -0.229 . . . . 0.0 111.141 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 33.4 m-20 -88.0 110.48 20.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -68.52 -21.76 64.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.64 67.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.188 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 69.6 mtt-85 -80.72 -14.98 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.258 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.536 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 74.1 mt -65.15 -38.08 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.795 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.25 -36.93 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.401 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.612 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 39.3 mt-10 -69.56 -39.15 77.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.349 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.2 -37.7 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.736 177.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 31.1 mt-10 -73.96 -13.45 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' B' ' 47' ' ' GLU . 65.7 mttm -78.12 -42.46 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.77 48.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.17 26.7 6.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.29 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.9 t -76.14 127.34 37.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -106.21 -16.67 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.683 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.3 m -152.11 147.95 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.599 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.614 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.0 m -80.41 -169.74 0.22 Allowed Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.948 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.3 Cg_exo 14.69 84.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.505 0 C-N-CA 123.544 2.829 . . . . 0.0 114.44 -135.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.636 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -149.55 161.07 42.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.639 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 61.1 tp -125.57 114.74 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.967 0.413 . . . . 0.0 110.721 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 48.3 t -94.92 102.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.928 0.394 . . . . 0.0 110.461 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.3 mt -93.34 98.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.358 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 46.85 75.04 0.13 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.795 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.94 -41.71 3.08 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.555 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.33 114.8 22.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -85.57 107.28 17.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.198 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.56 100.74 11.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.073 0.463 . . . . 0.0 109.996 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.525 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.6 m80 -70.82 137.91 49.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' B' ' 58' ' ' ALA . 9.5 mt -95.88 -175.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.624 ' H ' HG22 ' B' ' 68' ' ' ILE . 9.4 m120 -28.0 117.4 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.385 0.428 . . . . 0.0 110.614 167.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -44.47 105.74 0.06 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 124.372 1.045 . . . . 0.0 112.257 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.83 -89.13 0.63 Allowed Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.927 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.581 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.99 140.24 36.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.021 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.63 143.57 40.58 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.51 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.0 tt -65.33 -25.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.351 0.596 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.05 -31.61 68.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.325 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.87 -27.56 61.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.273 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.56 -15.34 60.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.17 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.345 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.658 0.266 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 67.4 m -151.59 171.43 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.96 0.409 . . . . 0.0 111.193 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.44 136.18 51.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . . . -142.44 120.44 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.324 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 32.4 mt -120.34 135.18 61.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.252 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' HD1' ' HD2' ' A' ' 9' ' ' HIS . 22.2 t80 -119.05 106.18 12.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.21 126.01 40.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.08 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.6 p80 -161.92 172.92 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.35 7.11 13.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.66 15.06 60.41 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.337 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' A' ' 16' ' ' VAL . 14.4 m -66.24 147.33 98.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.21 -27.2 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.48 -45.26 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 19.5 p -80.75 -16.56 53.54 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.371 -175.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 12' ' ' CYS . 95.6 t -58.7 -46.06 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.198 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -61.75 -33.51 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.76 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -38.79 67.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.741 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 38.9 tt0 -67.58 -24.09 65.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.521 . . . . 0.0 110.072 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.12 -57.31 3.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.72 -66.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.43 -39.98 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.44 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -77.06 1.45 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.95 -9.34 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.392 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.64 35.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.32 101.26 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.789 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.47 164.77 14.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.953 -174.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 37.7 Cg_exo -62.33 -8.86 13.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.559 2.839 . . . . 0.0 114.921 -173.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -74.54 -22.97 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.288 0.566 . . . . 0.0 110.045 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 30.0 mtpp -110.68 -46.49 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 96.1 m-85 -134.18 143.02 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.331 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -84.15 91.16 7.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -80.55 110.91 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.562 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.17 118.44 36.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.48 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -80.54 128.82 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.346 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.81 111.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 0.0 110.366 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -88.34 116.96 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.113 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.1 mt -92.06 1.31 57.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.47 -55.98 3.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.456 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.5 m -71.13 -40.61 71.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 0.0 110.773 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.11 97.27 7.11 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.26 -7.24 59.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.356 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.89 -23.23 55.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 109.84 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -73.55 -10.21 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.756 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.93 -31.98 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.65 77.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.117 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.31 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.45 -54.99 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.761 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.09 -29.45 70.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.985 0.421 . . . . 0.0 110.624 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.89 -37.43 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.542 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 -24.96 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.167 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.81 4.62 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.611 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 89.4 t -70.05 114.13 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -112.24 -10.81 13.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.666 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -145.3 159.43 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.702 0.287 . . . . 0.0 110.508 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.57 145.39 42.74 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.076 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.733 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 98.4 Cg_endo -79.79 158.29 88.6 Favored 'Cis proline' 0 C--N 1.344 0.314 0 C-N-CA 123.236 -1.568 . . . . 0.0 112.742 -0.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.65 121.78 31.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -99.9 108.61 20.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.782 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 47.5 t -96.92 106.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.946 0.403 . . . . 0.0 110.67 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.4 mt -96.36 105.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.538 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 65.39 -74.62 0.05 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 111.309 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 9.05 1.81 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.109 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.39 115.17 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.753 0.311 . . . . 0.0 110.513 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.57 114.33 26.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.474 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.5 m-85 -106.65 115.13 29.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.013 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.04 111.73 10.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.987 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.733 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 51.5 mt -74.45 93.54 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 66.57 169.92 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.097 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -100.16 90.36 4.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.49 -69.14 1.39 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.571 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.4 130.13 26.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.572 0.225 . . . . 0.0 110.491 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.52 144.65 30.7 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.244 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 13.1 tt -72.31 -15.96 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.159 0.504 . . . . 0.0 110.85 -175.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -80.3 -22.63 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 109.805 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.79 -30.6 32.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.389 175.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.67 -24.6 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.458 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 65.3 mttp . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.024 0.44 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -82.57 168.99 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.658 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' HB ' ' B' ' 32' ' ' THR . 83.1 tttt -93.79 126.12 38.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.0 111.326 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.97 116.09 22.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.758 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.423 HD11 ' HE2' ' B' ' 4' ' ' LYS . 50.5 mt -104.44 127.67 58.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.45 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.491 ' HD2' HG23 ' B' ' 35' ' ' ILE . 80.9 t80 -104.76 128.18 52.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -113.1 133.38 55.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 27.1 p80 -149.94 176.37 10.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.209 -0.197 . . . . 0.0 110.749 174.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 12.69 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.06 0.71 80.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.812 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.2 m -61.67 159.1 36.41 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.878 0.339 . . . . 0.0 110.563 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.69 -37.59 84.04 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.757 2.304 . . . . 0.0 112.108 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.34 -31.94 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 50.0 m -65.52 -43.88 88.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.04 -45.29 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 27.0 t -64.87 -42.62 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.075 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.6 86.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.305 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 15' ' ' CYS . 50.7 mt-10 -65.27 -53.96 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.0 -69.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.532 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.17 -49.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.08 -7.19 47.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.727 0.299 . . . . 0.0 111.549 -176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -109.97 -9.92 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.0 110.729 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -42.21 50.07 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.18 113.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.494 ' HB2' ' HD2' ' A' ' 30' ' ' LYS . 9.9 t70 -73.13 136.75 79.07 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.15 -172.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.01 -20.03 68.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.126 2.551 . . . . 0.0 112.666 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -97.19 2.75 51.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 110.285 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -106.2 -41.84 5.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -140.92 161.24 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.607 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . 0.495 ' HB ' ' HA ' ' B' ' 4' ' ' LYS . 23.5 m -85.63 95.47 9.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.8 117.51 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -119.48 119.44 33.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.229 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.17 121.51 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.64 120.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 110.951 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -84.33 108.45 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.314 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.709 HD12 HG12 ' B' ' 56' ' ' VAL . 86.6 mt -79.74 -24.1 41.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 111.086 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 45.34 3.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.268 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 86.4 m -141.06 -52.59 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 110.469 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.62 ' HB3' ' HG3' ' B' ' 44' ' ' ARG . 11.8 t70 -115.38 131.85 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.59 -26.71 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.53 -22.5 57.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.62 ' HG3' ' HB3' ' B' ' 41' ' ' ASP . 1.4 mmp_? -62.55 -33.0 74.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.48 -48.58 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.812 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.13 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 44' ' ' ARG . 39.5 mt-10 -62.85 -44.59 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.403 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.32 -40.05 89.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.532 0.206 . . . . 0.0 111.08 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.84 -29.37 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 111.164 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.52 -10.45 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.23 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.59 1.1 34.8 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.275 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.33 108.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.09 0.471 . . . . 0.0 110.368 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -101.13 -12.32 18.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.6 m -143.39 145.28 32.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.631 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.709 HG12 HD12 ' B' ' 38' ' ' LEU . 14.2 m -76.47 -171.23 0.24 Allowed Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.775 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 2.3 Cg_exo 12.97 93.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 123.657 2.905 . . . . 0.0 114.757 -133.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.24 151.03 37.74 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.253 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 tp -122.86 119.54 30.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.427 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.35 105.44 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -100.31 105.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.09 23.09 11.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.546 0.689 . . . . 0.0 111.349 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.13 -25.54 9.86 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.382 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.57 112.31 19.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.679 0.276 . . . . 0.0 110.462 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.94 111.72 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.076 0.465 . . . . 0.0 111.638 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -113.36 111.98 22.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.555 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.7 m80 -65.51 129.2 38.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.409 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 49.0 mm -94.65 96.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.082 0.468 . . . . 0.0 110.155 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 4.6 t-20 67.3 -174.1 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.356 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -90.84 93.43 9.22 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.87 -103.68 0.48 Allowed Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.872 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.61 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.29 159.0 43.16 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.012 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.66 123.06 6.53 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.477 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 tt -65.72 -19.72 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 121.425 0.631 . . . . 0.0 110.52 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 78' ' ' LYS . 28.7 t70 -69.67 -23.82 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.713 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.96 -23.38 66.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.414 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.72 -8.35 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 75' ' ' ASP . 54.5 mttp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 121.057 0.456 . . . . 0.0 110.083 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 121.227 0.537 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -89.32 -174.45 4.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HE3' HD11 ' A' ' 6' ' ' ILE . 65.2 pttt -125.42 165.0 19.21 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.833 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -130.44 113.29 14.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.701 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.503 HD11 ' HE3' ' A' ' 4' ' ' LYS . 29.9 mt -95.91 119.84 44.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 110.336 -175.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.594 ' HD1' ' HG ' ' A' ' 59' ' ' LEU . 47.5 t80 -102.28 103.0 13.45 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.987 -176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.83 126.8 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.961 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 17.7 p80 -154.3 -179.56 8.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.61 0.243 . . . . 0.0 110.774 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 18.69 10.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.682 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.65 3.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.823 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -113.64 146.6 35.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.37 -35.92 98.86 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.022 2.481 . . . . 0.0 112.393 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.23 -38.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.288 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 17.5 m -67.15 -45.5 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.083 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.33 -37.39 63.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 m -62.3 -38.28 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.359 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.8 67.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.899 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' CYS . 57.7 mt-10 -65.93 -39.8 90.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.55 -28.95 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.97 -71.1 0.72 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.75 -47.91 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.538 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -71.17 -11.45 60.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.555 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.73 -7.57 20.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.057 0.456 . . . . 0.0 110.75 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.45 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.88 116.21 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.895 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.9 t70 -70.99 132.09 86.85 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 39.1 Cg_exo -58.37 -37.65 94.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.447 2.765 . . . . 0.0 113.763 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -85.76 1.52 49.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.284 0.564 . . . . 0.0 110.855 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -96.15 -53.42 3.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -137.01 121.82 18.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.093 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 30.4 m -71.26 108.87 4.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.941 0.4 . . . . 0.0 111.188 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.3 t -83.11 123.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.89 115.2 29.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 7' ' ' PHE . 45.3 mm -87.39 117.92 32.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.09 126.05 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 0.0 111.239 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -96.25 107.86 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.039 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.22 -10.38 59.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.534 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.37 -23.42 68.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.299 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -93.2 -14.13 27.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.017 0.437 . . . . 0.0 110.99 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 12.1 t70 -137.61 113.26 9.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.857 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' HG13 ' A' ' 45' ' ' ILE . 99.1 mttt -89.12 -9.25 51.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.426 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.45 -37.62 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.077 0.465 . . . . 0.0 109.918 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HG3' ' OD1' ' A' ' 41' ' ' ASP . 55.1 mtt180 -68.73 -17.55 64.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.879 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 HD11 ' A' ' 74' ' ' ILE . 60.4 mt -60.2 -42.73 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.294 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.32 88.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.19 -43.08 92.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.352 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.04 -41.04 99.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 49.2 mt-10 -58.62 -48.9 79.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.958 177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.33 -35.0 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.984 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.18 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.94 32.81 0.97 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.304 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 63.7 t -96.99 110.67 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -106.14 -17.27 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.198 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.412 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 19.7 m -143.26 156.69 44.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.5 m -122.89 145.82 46.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.968 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 95.4 Cg_endo -80.77 151.93 81.4 Favored 'Cis proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.11 -1.621 . . . . 0.0 113.135 1.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -125.69 130.92 52.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.036 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HG ' ' HD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -105.27 107.89 19.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.149 0.499 . . . . 0.0 109.994 -178.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 5' ' ' ALA . 48.0 t -88.48 94.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.363 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 39.5 mt -91.8 121.08 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 4.2 m-20 71.03 -53.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.812 0.695 . . . . 0.0 110.909 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.55 -21.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.299 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.83 137.49 32.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.973 0.386 . . . . 0.0 110.461 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.83 107.13 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.924 0.393 . . . . 0.0 111.455 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.1 114.77 29.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.856 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 69.2 m80 -72.14 148.12 45.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.47 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.581 HD11 HD12 ' A' ' 59' ' ' LEU . 64.0 mt -119.42 103.14 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 92.5 m-20 66.62 -178.7 0.2 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.612 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -123.47 90.52 3.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.56 -62.32 1.64 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 152.21 46.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.0 163.24 26.67 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.327 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.521 HD11 HG23 ' A' ' 45' ' ' ILE . 10.8 tp -73.69 -26.6 21.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 109.914 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.09 -33.41 44.46 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.272 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.13 -17.86 58.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.107 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.6 tp -69.15 -34.38 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 178.736 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.733 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 44.2 m -80.06 167.92 19.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.029 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' B' ' 34' ' ' GLU . 59.8 tttp -83.67 88.91 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.4 104.65 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.852 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.3 mt -96.96 117.85 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -176.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.481 ' HE1' HD12 ' B' ' 68' ' ' ILE . 88.1 t80 -98.64 119.58 37.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.007 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.518 ' HB3' HD11 ' B' ' 38' ' ' LEU . 91.5 m-85 -102.17 122.74 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 10.1 p80 -142.5 173.25 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.09 19.57 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.727 0.299 . . . . 0.0 111.212 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.27 64.6 2.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.367 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -133.27 157.49 78.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.05 -33.08 88.72 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.696 2.264 . . . . 0.0 112.107 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -60.88 -36.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.704 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 20.3 m -68.42 -36.53 79.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 -51.04 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.6 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.295 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.65 -51.65 53.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.961 0.41 . . . . 0.0 111.185 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -71.22 -16.4 62.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.082 -173.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.05 -66.47 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 111.397 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -48.81 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.317 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.93 4.94 10.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -107.4 -33.46 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.27 83.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.594 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -93.62 97.2 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.988 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -58.45 133.83 85.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.592 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 29.7 Cg_endo -64.67 -14.37 44.28 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.844 2.363 . . . . 0.0 111.567 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.34 -19.75 38.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.956 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -98.54 -43.48 6.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.511 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 2' ' ' ALA . 90.4 m-85 -136.38 138.77 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.424 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -77.36 100.34 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.49 120.63 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.5 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' B' ' 4' ' ' LYS . 47.7 mt-10 -106.39 121.37 44.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.342 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -87.74 107.38 17.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.071 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.71 117.54 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -88.59 113.09 23.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.039 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 8' ' ' TYR . 52.5 mt -81.66 -15.17 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.049 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.25 -19.81 71.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.532 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -72.43 -47.88 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.44 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 54.2 m-20 -127.27 121.99 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 -176.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -74.73 -18.71 60.46 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.76 -22.02 66.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.505 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.508 ' HG2' ' OE1' ' B' ' 47' ' ' GLU . 72.3 mtt180 -75.52 -18.11 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.957 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.8 -37.02 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.508 ' OE1' ' HG2' ' B' ' 44' ' ' ARG . 42.1 mt-10 -73.48 -33.07 64.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 109.998 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -64.1 -35.18 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.063 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.11 -31.98 73.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.69 175.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 66.3 mttm -69.09 -51.24 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.349 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.35 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.472 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.69 42.8 3.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.912 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.0 t -91.87 119.63 39.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.655 0.264 . . . . 0.0 110.359 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.76 -29.01 17.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.44 . . . . 0.0 110.672 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -140.35 137.98 34.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.895 0.379 . . . . 0.0 111.183 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' B' ' 57' ' ' PRO . 15.6 m -79.02 -161.1 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.55 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.999 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' B' ' 56' ' ' VAL . 0.7 OUTLIER 11.8 92.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 123.531 2.821 . . . . 0.0 114.454 -135.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' B' ' 66' ' ' PHE . . . -144.39 175.67 9.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 113.753 -1.567 . . . . 0.0 110.77 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.79 117.48 10.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.05 106.37 20.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 110.285 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.62 92.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.714 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.733 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 13.1 t70 48.65 69.04 0.6 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.611 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.24 -35.66 3.94 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.836 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 111.67 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.31 123.0 34.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.834 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.474 ' O ' ' HB1' ' B' ' 58' ' ' ALA . 67.8 m-85 -129.46 154.94 46.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.547 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.18 139.0 50.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' B' ' 7' ' ' PHE . 60.5 mt -97.08 102.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 91.0 m-20 60.76 -161.16 0.29 Allowed 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -168.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -105.13 94.46 5.25 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 172.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.56 -90.01 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.35 -0.928 . . . . 0.0 110.892 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.2 128.08 21.97 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.116 174.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.75 136.69 50.1 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.115 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.5 tt -65.04 -19.97 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 117.434 0.617 . . . . 0.0 110.187 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.01 -43.93 97.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.053 173.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.65 -26.09 41.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.293 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.929 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 110.255 178.627 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.447 -0.616 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 12.9 m -62.12 148.51 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.897 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -73.09 101.51 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.027 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -94.86 103.9 15.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.967 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 28.8 mt -96.73 116.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -99.07 114.97 27.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 44.8 m-85 -99.57 119.77 38.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.14 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 6.8 p80 -140.19 162.88 34.21 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.794 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.17 17.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.629 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.02 27.67 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.357 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 28.9 p -97.22 168.33 10.4 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 78.8 Cg_exo -49.88 -39.78 48.88 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.712 2.275 . . . . 0.0 112.823 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.01 -35.09 66.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.088 0.47 . . . . 0.0 110.665 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 84.1 m -69.64 -40.04 76.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.93 -44.75 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 m -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.86 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -79.98 -4.35 52.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 -65.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.459 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.33 -48.0 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.028 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.26 3.46 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -106.63 -28.53 10.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.378 0.609 . . . . 0.0 109.5 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.67 -35.27 67.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.89 92.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.065 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 7.9 p-10 -94.18 153.7 40.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.757 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -59.05 -13.61 19.81 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.67 2.913 . . . . 0.0 114.332 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.02 -33.7 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.977 0.418 . . . . 0.0 110.168 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 54.4 tttp -100.7 -47.69 4.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.729 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 93.7 m-85 -136.31 124.9 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.613 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 19.7 m -81.39 123.84 28.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.039 0.447 . . . . 0.0 111.026 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 39.7 t -102.61 135.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.793 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -108.26 138.73 44.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.121 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.13 118.5 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.578 0.227 . . . . 0.0 110.751 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.8 123.19 70.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -99.41 114.39 27.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.031 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HG11 ' A' ' 56' ' ' VAL . 88.6 mt -88.34 -9.68 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 39.38 3.0 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.324 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.8 m -152.23 -68.24 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.323 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 9.5 t70 -89.7 136.48 33.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.39 -23.41 32.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.64 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.57 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 1.7 mmp_? -52.62 -41.92 64.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.099 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.67 -45.29 95.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -58.65 -43.22 89.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.685 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.51 -40.95 96.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.843 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.38 77.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.871 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.24 -14.51 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 66.4 mttm -85.84 -39.12 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.461 . . . . 0.0 109.802 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.73 -34.86 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.569 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.55 40.17 1.8 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.742 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.39 132.67 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.09 -38.98 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 45.5 m -146.39 167.07 24.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 38' ' ' LEU . 30.7 m -122.94 151.1 60.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.679 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.6 Cg_endo -76.18 155.66 98.48 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 123.213 -1.578 . . . . 0.0 112.929 0.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -125.24 154.66 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.624 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.245 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 58.6 t -91.24 107.44 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 63' ' ' GLY . 49.1 mm -93.49 97.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.587 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 26.2 t70 72.09 -21.98 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.588 0.755 . . . . 0.0 112.224 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.44 -27.84 0.18 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.08 130.5 34.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.9 110.0 22.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.417 . . . . 0.0 111.411 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.86 164.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.891 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.513 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -122.35 149.39 43.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.679 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 mm -111.91 103.63 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' B' ' 67' ' ' HIS . 87.3 m-20 65.36 -168.95 0.2 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.518 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -124.15 84.76 2.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.07 -70.7 1.32 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.252 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 146.28 39.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.464 0.173 . . . . 0.0 110.803 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -87.72 141.08 16.97 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.582 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 tt -69.93 -26.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.864 0.364 . . . . 0.0 111.309 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -76.34 -34.5 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.457 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.29 -25.83 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.468 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -69.12 -13.93 62.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.966 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.527 178.07 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 59.9 m -84.51 172.93 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 62' ' ' ASP . 28.2 mtpp -71.53 132.39 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.177 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 85.27 2.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.72 120.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -98.33 129.93 45.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.88 130.48 55.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.663 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -158.07 160.75 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.433 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 20.79 15.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.53 89.74 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.443 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.482 ' O ' HG23 ' B' ' 16' ' ' VAL . 23.6 p -156.96 160.17 30.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' B' ' 12' ' ' CYS . 13.9 Cg_endo -57.18 -32.24 92.91 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.521 2.147 . . . . 0.0 112.701 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.72 -45.44 95.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.48 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.858 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 22.0 p -76.41 -23.09 54.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.568 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 12' ' ' CYS . 64.2 t -61.8 -35.72 69.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -61.73 -49.39 76.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.992 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.43 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.919 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.48 -50.01 75.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.301 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -89.14 -1.14 57.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.58 -69.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.596 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.92 -43.7 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.82 -1.18 26.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.269 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -106.15 -16.1 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.637 0.732 . . . . 0.0 109.203 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -80.6 -37.97 30.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.015 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.12 114.17 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 16.3 t70 -64.92 128.06 93.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.449 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 31.5 Cg_exo -60.2 -23.4 73.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.432 2.755 . . . . 0.0 113.997 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.5 p -104.28 -3.69 23.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 52.9 tttp -84.98 -39.42 18.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.714 ' HD1' ' H ' ' B' ' 3' ' ' SER . 60.1 m-85 -140.02 163.35 32.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.0 m -78.38 93.75 4.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.34 112.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.219 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.98 141.93 49.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.832 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.35 115.14 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.17 113.9 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.137 0.494 . . . . 0.0 110.443 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -91.6 111.74 23.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.91 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.58 HD12 HG12 ' B' ' 56' ' ' VAL . 55.9 mt -90.27 -6.99 54.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.791 -177.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.56 38.74 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.566 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -156.68 -45.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 109.791 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.618 ' HB3' ' HD2' ' B' ' 44' ' ' ARG . 14.2 t70 -109.7 122.32 47.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.425 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.13 -20.29 41.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.165 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.27 79.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.096 0.474 . . . . 0.0 110.137 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.618 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 67.1 mtt85 -60.15 -32.34 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.232 175.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -44.52 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.07 0.462 . . . . 0.0 110.063 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -10.58 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.11 -36.06 12.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 110.137 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.78 87.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.25 -16.62 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.529 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -77.07 -51.92 10.22 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.02 -33.89 75.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.17 33.96 1.42 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.261 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.73 104.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -77.81 -30.43 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.587 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 p -151.46 154.8 37.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.611 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.6 m -71.94 -167.39 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.448 174.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.858 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 6.6 Cg_exo 12.57 91.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.057 3.171 . . . . 0.0 115.383 -136.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.81 154.51 37.42 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.635 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tt -131.55 129.36 40.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 109.962 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.89 111.74 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -99.09 118.66 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' HD3' ' B' ' 4' ' ' LYS . 26.6 t70 67.31 -68.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.959 0.904 . . . . 0.0 111.353 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.62 19.12 0.16 Allowed Glycine 0 C--N 1.312 -0.752 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.2 132.46 53.0 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.53 115.79 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.305 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -115.14 114.25 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.039 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 58' ' ' ALA . 72.1 m80 -72.35 131.1 42.19 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.315 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 43.0 mm -92.25 99.31 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.8 m-20 66.07 -171.45 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -100.11 101.22 12.21 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.92 0.1 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.288 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.13 132.33 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.398 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' B' ' 77' ' ' LEU . . . -58.61 124.69 37.36 Favored Glycine 0 C--O 1.229 -0.219 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.642 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.3 tt -67.65 -25.0 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 117.155 0.477 . . . . 0.0 111.289 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.05 -30.06 39.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.1 -24.2 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.708 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 73' ' ' GLY . 93.8 mt -70.9 -11.87 61.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.05 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.482 0.658 . . . . 0.0 109.319 174.112 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.71 140.84 29.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -79.15 112.04 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.357 0.598 . . . . 0.0 111.326 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -108.62 106.79 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.557 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.01 116.04 36.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 110.3 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 61.2 t80 -100.79 98.51 9.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 54.6 m-85 -86.05 108.19 18.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.963 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 8.2 p80 -119.62 161.49 20.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.738 0.304 . . . . 0.0 110.69 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.32 -4.64 31.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.285 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.56 89.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.35 157.08 83.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.25 -41.49 50.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.185 2.59 . . . . 0.0 112.624 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.27 -38.03 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 9' ' ' HIS . 61.1 m -66.95 -37.11 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.142 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 60.2 t -64.13 -47.35 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.434 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 m -59.57 -39.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 26.8 tt0 -68.5 -47.69 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 96.4 mt-30 -58.32 -35.34 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.592 -177.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.68 -65.74 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.01 -48.07 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -70.87 -14.02 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' HE2' ' B' ' 30' ' ' LYS . 18.5 m-80 -103.04 -3.6 25.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.301 175.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' HE1' ' B' ' 31' ' ' TYR . . . -88.26 -31.62 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.242 0.544 . . . . 0.0 109.675 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.17 96.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.268 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 9.3 m-20 -58.37 130.83 84.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.077 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 34.6 Cg_exo -61.73 -15.45 42.36 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.247 2.631 . . . . 0.0 112.95 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -88.41 -23.65 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 0.0 110.014 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -79.12 -47.77 15.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 94.0 m-85 -140.01 138.0 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.931 173.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -75.97 101.68 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 0.0 111.603 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.0 131.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -114.92 104.19 11.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.936 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.96 119.52 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.385 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 59.1 t -128.96 125.64 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -85.68 119.8 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.4 tp -110.55 4.16 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 110.582 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.76 -31.86 42.99 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -93.84 -41.46 9.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.011 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -76.36 101.78 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.069 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -83.05 -10.56 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -33.56 32.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.892 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -76.26 4.02 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.26 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.76 -33.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.18 75.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.012 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 32.0 tt0 -73.32 -26.88 61.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.18 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.818 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.66 -28.11 68.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.243 0.544 . . . . 0.0 110.358 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 47' ' ' GLU . 62.0 tttm -70.61 -38.79 74.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.113 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.17 -35.05 14.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.623 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.11 20.84 5.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.984 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.07 107.58 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -100.7 -16.62 17.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -154.05 165.23 36.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.7 145.07 48.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.559 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.08 145.79 55.98 Favored 'Cis proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.12 -1.617 . . . . 0.0 112.766 0.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.53 126.56 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.837 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -101.1 101.97 12.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.4 t -85.47 97.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' GLY . 58.9 mt -90.39 107.26 18.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.019 -177.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 72.87 -23.22 0.21 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.728 0.642 . . . . 0.0 111.759 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 152.53 -10.85 0.62 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.94 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.06 117.55 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -83.63 113.26 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.387 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -104.53 108.06 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.214 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 56.4 m80 -79.32 117.53 20.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.182 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.71 98.87 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.687 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 68.52 121.23 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.928 0.767 . . . . 0.0 111.195 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -72.43 96.9 1.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.958 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.32 -61.93 1.3 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 134.88 33.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.4 159.02 23.13 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.715 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.91 -32.25 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.81 -32.91 74.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.0 110.73 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.08 -42.94 36.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.878 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.76 -25.63 53.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.323 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 tttm . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.583 0.706 . . . . 0.0 110.137 -176.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' B' ' 31' ' ' TYR . 17.1 m -64.47 151.51 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.301 -175.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 1.6 tpmt? -61.38 139.56 58.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.237 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' B' ' 33' ' ' VAL . . . -141.72 97.4 3.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.2 mm -104.3 117.58 50.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -100.56 121.87 42.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.316 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 83.1 m-85 -102.64 129.36 49.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.347 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.919 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 28.5 p80 -150.11 172.38 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.843 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.09 -7.01 11.92 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.06 -3.16 55.34 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.155 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.524 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 58.2 m -66.28 163.9 35.22 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.259 0.224 . . . . 0.0 110.525 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 6.6 Cg_endo -49.09 -42.72 38.45 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.22 2.613 . . . . 0.0 112.831 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.28 -34.31 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.162 0.506 . . . . 0.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 33.5 m -66.28 -40.55 90.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.389 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.41 -50.79 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.763 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.71 -44.02 90.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.52 65.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.478 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 19.2 tt0 -64.17 -33.2 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 110.631 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.31 -63.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.352 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 -49.11 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -171.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.522 HG21 HG21 ' B' ' 68' ' ' ILE . 44.3 t -68.06 -41.2 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -171.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.43 -22.72 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -98.29 -3.86 36.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -88.47 -43.45 11.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.656 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -75.62 125.72 35.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 14.5 t70 -69.98 124.8 91.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.362 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -11.72 31.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.205 2.604 . . . . 0.0 113.23 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -99.6 -9.29 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.41 0.624 . . . . 0.0 109.642 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.514 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 36.9 tttp -93.54 -45.66 7.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.223 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' B' ' 3' ' ' SER . 93.8 m-85 -129.03 149.17 50.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.647 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.7 m -86.93 92.2 8.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.012 0.434 . . . . 0.0 110.067 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' B' ' 5' ' ' ALA . 40.2 t -84.48 115.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.021 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -121.86 134.78 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -97.59 125.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.518 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' B' ' 8' ' ' TYR . 90.1 t -121.96 127.84 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.26 124.18 31.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.12 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 tp -126.33 108.87 11.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.196 0.522 . . . . 0.0 109.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.71 -58.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.082 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -80.66 -10.04 59.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.629 0.728 . . . . 0.0 109.842 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -103.6 106.55 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.971 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -88.84 -9.46 51.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.95 -49.73 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 0.0 111.067 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -82.25 10.14 7.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.981 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.489 HG23 HD11 ' B' ' 74' ' ' ILE . 55.3 mt -61.72 -37.01 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 171.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.93 -29.84 70.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.942 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.83 -40.72 83.75 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.925 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.14 -40.08 88.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.98 -29.24 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.915 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 97.8 mttt -71.43 -41.7 69.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 110.626 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.3 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.67 23.2 8.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.919 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.3 t -81.94 102.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.16 -16.6 32.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.249 0.547 . . . . 0.0 110.662 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.9 m -148.34 143.35 26.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.788 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.579 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 10.2 m -71.72 -169.23 0.11 Allowed Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.919 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 16.09 86.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 0 C-N-CA 123.792 2.995 . . . . 0.0 115.009 -135.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.6 152.77 30.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.093 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tt -123.49 128.11 49.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 35.7 t -98.24 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.566 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.35 101.67 12.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.931 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' HA ' ' HB3' ' B' ' 4' ' ' LYS . 27.5 t70 66.0 -70.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.099 0.96 . . . . 0.0 111.585 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.38 8.05 1.84 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.981 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.79 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -87.46 120.6 28.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -114.63 120.38 39.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.131 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.431 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.2 m80 -77.49 118.97 20.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.907 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.522 HG21 HG21 ' B' ' 22' ' ' VAL . 58.6 mt -108.05 94.91 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 66.22 118.2 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.14 0 O-C-N 124.084 0.865 . . . . 0.0 109.649 -170.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -55.06 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.992 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.37 -90.83 0.29 Allowed Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.534 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.559 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.73 136.35 34.09 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.252 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.94 134.57 17.37 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.298 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.489 HD11 HG23 ' B' ' 45' ' ' ILE . 14.9 tt -68.44 -24.29 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.315 0.579 . . . . 0.0 109.625 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' B' ' 78' ' ' LYS . 4.5 m-20 -63.39 -25.64 68.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.922 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -74.17 -36.35 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.57 -25.64 57.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' B' ' 75' ' ' ASP . 52.5 mttm . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.857 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.968 0.413 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.38 155.72 19.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -89.7 138.82 31.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.085 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.11 113.25 21.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.229 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mt -95.12 121.35 45.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.638 ' HD2' HG23 ' A' ' 35' ' ' ILE . 73.6 t80 -104.1 102.73 12.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -89.94 122.74 33.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.275 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 11.6 p80 -133.79 175.28 9.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.628 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.95 19.39 10.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.331 -177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.88 19.92 78.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.893 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.6 151.54 61.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.61 -38.86 84.39 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.727 2.284 . . . . 0.0 112.308 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -60.67 -35.7 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.873 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 35.2 m -65.56 -39.81 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.15 -40.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -63.6 -37.65 88.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.675 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.53 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.591 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.4 tt0 -64.06 -43.02 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.036 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.86 -22.02 46.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.056 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.27 -67.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.54 -44.44 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.328 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -74.82 -4.27 36.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.568 -177.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -101.73 -15.08 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 110.4 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.64 -32.95 20.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.354 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.06 108.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.531 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.673 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 7.7 t70 -70.44 129.54 90.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.77 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 32.2 Cg_exo -59.8 -18.47 49.08 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.266 2.644 . . . . 0.0 112.996 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -76.72 -17.79 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.462 . . . . 0.0 110.362 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -104.06 -44.65 4.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.365 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 82.7 m-85 -138.18 141.62 40.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.467 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.5 m -90.58 108.26 19.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.058 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -84.16 111.99 20.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.12 106.32 15.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.004 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 7' ' ' PHE . 64.2 mt -89.87 123.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.58 127.71 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -76.99 106.43 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 33.4 tp -76.65 -12.03 59.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.987 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.22 -8.09 75.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.246 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -85.7 -40.85 15.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -116.0 121.59 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.69 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.12 -25.43 34.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.34 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.991 0.424 . . . . 0.0 110.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.51 -24.06 65.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.505 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 69.9 mt -62.12 -43.16 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.205 0.526 . . . . 0.0 109.665 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.14 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.697 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.36 -42.06 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.107 0.479 . . . . 0.0 109.883 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -60.68 -35.25 75.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.168 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.96 -25.0 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -82.16 -26.66 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.346 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.65 16.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.804 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.65 24.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.954 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.5 t -86.4 125.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -123.78 -10.32 7.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.391 . . . . 0.0 110.945 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.469 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 30.2 m -152.41 172.73 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.013 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.01 144.1 51.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.591 0.234 . . . . 0.0 110.54 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.33 157.6 78.39 Favored 'Cis proline' 0 C--N 1.343 0.288 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.72 -0.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.0 tp -98.99 100.73 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.793 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.6 t -90.34 96.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.547 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.44 98.19 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 65.68 4.31 2.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.906 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.66 -30.62 2.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.09 114.37 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.53 112.49 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' B' ' 68' ' ' ILE . 83.3 m-85 -106.79 111.01 23.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.183 177.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 53.4 m80 -77.32 108.39 10.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.312 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.426 HD12 ' HE1' ' A' ' 7' ' ' PHE . 62.9 mt -85.35 102.51 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.87 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 64.77 102.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.32 104.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.139 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.84 -60.53 0.97 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 162.73 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -91.95 166.67 30.08 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.536 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.0 tt -72.44 -17.11 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.582 0.706 . . . . 0.0 109.608 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -80.57 -24.35 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.86 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.49 -27.45 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.16 0.505 . . . . 0.0 109.945 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.73 -24.11 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.369 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.77 176.691 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -82.9 153.29 25.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' B' ' 6' ' ' ILE . 54.5 pttt -87.23 136.59 32.87 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.284 -175.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.4 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -111.73 121.28 44.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.68 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.53 HD11 ' HE3' ' B' ' 4' ' ' LYS . 36.7 mt -95.69 120.09 44.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.12 0.486 . . . . 0.0 110.863 -171.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -100.23 104.23 15.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.803 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -91.78 122.99 34.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.311 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.818 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.0 p80 -144.1 178.35 7.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.87 9.56 6.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.655 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.99 -24.59 17.5 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.284 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -51.57 147.74 10.6 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.388 0.275 . . . . 0.0 111.174 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.1 -30.03 23.86 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.495 2.797 . . . . 0.0 113.744 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.57 -36.81 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.1 m -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.086 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.57 -42.6 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.868 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -59.67 -47.88 83.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.79 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.653 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.11 -53.19 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.98 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.23 -51.97 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.659 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -54.57 6.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.0 -37.39 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.21 -13.72 61.2 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -96.59 -22.88 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.288 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.31 30.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.034 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -84.34 122.37 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.016 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.5 ' HB2' ' HG3' ' B' ' 30' ' ' LYS . 30.5 m-20 -75.19 131.66 77.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.709 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 36.0 Cg_exo -61.3 -17.15 51.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.812 2.342 . . . . 0.0 111.901 175.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -73.82 -27.2 61.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.64 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.673 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 67.0 mttm -83.84 -49.87 8.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.367 0.603 . . . . 0.0 109.547 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 98.0 m-85 -136.2 132.93 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.72 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -75.63 112.41 11.96 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.47 109.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 0.0 110.479 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.19 103.91 15.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.909 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.71 123.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' B' ' 44' ' ' ARG . 54.3 t -125.66 120.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 110.944 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -92.8 99.31 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.995 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.532 HD12 HG12 ' B' ' 56' ' ' VAL . 51.0 mt -80.91 -1.26 42.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.13 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.85 -3.02 88.3 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.054 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 -55.17 2.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.056 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.14 121.14 37.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.237 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' B' ' 45' ' ' ILE . 89.3 mttt -89.72 -18.84 25.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.506 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -62.65 -48.5 79.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.837 0.351 . . . . 0.0 110.748 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.671 ' HG2' HG11 ' B' ' 36' ' ' VAL . 0.7 OUTLIER -67.98 -26.94 66.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 42' ' ' LYS . 61.8 mt -58.18 -54.41 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.747 0.308 . . . . 0.0 110.797 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.57 77.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.546 ' CD ' HH21 ' B' ' 44' ' ' ARG . 40.3 mt-10 -66.92 -41.31 87.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.31 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.17 90.09 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.1 -42.53 76.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.65 -18.73 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.77 -30.94 51.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.42 5.68 7.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.43 111.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -90.12 -25.56 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.401 -174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -149.39 156.55 42.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.943 0.401 . . . . 0.0 111.65 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.585 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 9.1 m -79.02 -167.66 0.14 Allowed Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.818 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.9 OUTLIER 12.71 84.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 123.607 2.871 . . . . 0.0 114.544 -135.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.427 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -144.83 147.95 33.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.886 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.4 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 tt -119.43 112.34 19.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 47.2 t -90.89 102.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.217 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.85 95.65 5.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.183 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 45.87 75.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.22 -38.78 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.321 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.79 38.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.052 0.426 . . . . 0.0 111.13 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.54 118.43 30.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.468 . . . . 0.0 111.329 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.53 103.37 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.148 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.59 127.34 32.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.061 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 47.3 mm -97.73 93.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 68' ' ' ILE . 87.0 m-20 71.14 171.96 0.32 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.127 -168.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -91.06 92.03 8.54 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.21 -96.07 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.462 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.71 132.48 29.09 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.601 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.75 128.26 44.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.559 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.89 -23.76 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.43 0.633 . . . . 0.0 110.407 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -76.92 -32.26 57.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.934 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -21.26 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.906 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.19 -17.12 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.595 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.108 0.48 . . . . 0.0 109.97 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.637 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 19.3 p -84.32 -160.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -120.63 153.66 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.511 0.672 . . . . 0.0 112.296 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.22 116.34 16.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.413 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 13.4 mt -102.77 118.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.607 ' HB3' HG12 ' A' ' 35' ' ' ILE . 64.3 t80 -97.07 114.08 25.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.267 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 38' ' ' LEU . 89.2 m-85 -101.38 128.64 47.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.349 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -149.12 178.1 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.411 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.74 10.61 9.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.92 -15.43 60.8 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.602 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 44.3 t -57.59 136.25 82.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.434 0.294 . . . . 0.0 110.805 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 78.7 Cg_exo -48.53 -23.91 5.85 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.689 2.926 . . . . 0.0 114.128 -175.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.5 -34.48 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.065 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -77.1 -26.82 53.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.585 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.18 -47.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -57.62 -47.42 82.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.205 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.07 91.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.749 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.43 -54.75 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.985 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.4 -20.8 65.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.629 -174.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.19 -65.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.713 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 t -80.27 -50.74 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.78 -171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.45 -26.86 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.943 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -81.14 -24.65 37.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.234 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.64 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.051 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.7 109.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.58 138.09 88.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 44.1 Cg_endo -69.0 -3.25 11.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.95 2.434 . . . . 0.0 112.184 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -95.59 -14.29 23.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.11 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -98.14 -39.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.294 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 61.8 m-85 -141.72 146.47 36.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.821 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -77.75 98.59 5.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.429 . . . . 0.0 110.383 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -81.52 118.47 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.409 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 32.9 tt0 -124.21 126.91 46.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.607 HG12 ' HB3' ' A' ' 7' ' ' PHE . 64.9 mt -115.21 133.14 62.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.7 124.47 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.882 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.83 108.37 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.054 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 8' ' ' TYR . 91.1 mt -87.73 -20.2 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.246 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 34.05 2.39 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.815 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -144.08 -57.87 0.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.023 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.28 118.43 32.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.009 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.41 -30.77 70.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.186 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.9 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.931 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -75.6 -21.48 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.921 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.04 -34.33 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.078 0.466 . . . . 0.0 109.824 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.24 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.566 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.71 -38.72 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.167 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -64.12 -43.72 94.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.654 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.97 -42.32 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.684 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.08 -28.59 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.463 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.87 53.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.35 20.95 33.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 60.6 t -77.98 111.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.973 0.416 . . . . 0.0 110.098 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.64 -30.22 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.2 m -147.78 166.4 27.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.27 146.78 43.45 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.334 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.36 150.54 51.23 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.292 -1.545 . . . . 0.0 112.932 0.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -135.35 125.95 26.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 tt -102.44 109.33 20.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.5 t -94.85 106.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.5 mt -90.12 99.04 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.637 ' OD1' ' HB2' ' A' ' 3' ' ' SER . 63.8 m-20 65.47 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 111.77 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.86 10.7 4.24 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.65 116.59 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 110.448 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -93.29 117.5 30.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 -176.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.435 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 95.5 m-85 -111.59 104.42 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 75.7 m80 -73.5 115.92 13.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.578 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.1 mt -88.84 95.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 66.65 -169.3 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.004 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -130.15 106.69 8.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 110.806 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.16 -67.09 0.83 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.574 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.67 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.57 166.02 41.19 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 17.4 tt -66.31 -31.01 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 117.01 0.405 . . . . 0.0 110.754 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 1.2 m-20 -75.36 -22.77 57.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -69.92 -27.62 64.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 109.68 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.19 -26.94 32.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.359 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 88.9 mttt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.95 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.18 161.32 22.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.973 0.416 . . . . 0.0 110.939 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.501 ' HD2' HD11 ' B' ' 6' ' ' ILE . 34.6 ttpt -92.1 133.1 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.774 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.597 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -128.29 112.11 14.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.501 HD11 ' HD2' ' B' ' 4' ' ' LYS . 42.7 mm -99.3 122.45 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.95 0.405 . . . . 0.0 110.947 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.407 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.8 t80 -99.15 122.29 42.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.771 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -105.76 132.58 51.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.876 0.369 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.854 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 4.7 p80 -144.05 176.64 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.48 16.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.78 -108.4 0.57 Allowed Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 119.828 -1.177 . . . . 0.0 112.198 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HD3' ' B' ' 13' ' ' PRO . 49.9 t -176.08 -55.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.846 -175.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' B' ' 12' ' ' CYS . 75.8 Cg_exo -50.34 -65.02 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 122.5 2.134 . . . . 0.0 113.589 -171.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.71 -24.74 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 110.31 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 25.3 m -66.93 -46.48 74.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.182 -175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.07 -30.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -61.6 -52.4 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.477 . . . . 0.0 109.905 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.75 70.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -67.7 -41.3 83.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -96.46 -2.82 44.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.21 -61.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.475 HG11 HD13 ' B' ' 68' ' ' ILE . 56.7 t -70.09 -50.34 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.293 . . . . 0.0 111.085 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -6.71 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.073 0.463 . . . . 0.0 111.041 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -95.04 -27.72 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.328 0.585 . . . . 0.0 109.65 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -78.92 -37.64 39.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.564 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.42 121.54 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.9 t70 -73.33 124.64 90.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.794 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 39.5 Cg_exo -61.75 -23.2 75.88 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.312 2.675 . . . . 0.0 113.451 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -85.87 -10.94 54.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.991 0.424 . . . . 0.0 110.193 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.64 -46.43 6.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -127.8 121.0 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.565 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.67 96.06 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 61.9 t -83.18 118.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.85 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -119.28 124.87 47.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.407 HG23 ' HD2' ' B' ' 7' ' ' PHE . 69.9 mt -94.88 127.62 46.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 -174.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.54 129.06 76.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.518 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -91.04 122.32 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.31 8.33 35.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.97 29.86 6.65 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.033 -174.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -155.18 -67.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.79 0.295 . . . . 0.0 110.739 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.54 122.65 19.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 45' ' ' ILE . 54.0 mttp -83.02 -25.6 32.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.81 88.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.135 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -75.73 -23.61 56.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.395 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 42' ' ' LYS . 73.0 mt -65.01 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.15 -36.55 82.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.617 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.86 -40.94 92.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -55.81 -44.03 77.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.321 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.66 -46.67 67.28 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 26.2 mttm -84.35 -17.97 37.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.956 -171.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.95 -30.25 24.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.011 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.27 -2.0 11.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.372 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.51 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 28.3 t -81.04 105.46 11.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.43 -6.16 19.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 30.2 m -150.37 145.42 26.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.52 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.64 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.5 m -77.04 -172.2 0.29 Allowed Pre-proline 0 C--O 1.238 0.461 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.854 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.19 88.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 124.11 3.207 . . . . 0.0 115.241 -137.259 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.94 158.51 44.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.731 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -124.48 121.02 33.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.803 0.335 . . . . 0.0 110.74 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.2 t -94.82 101.22 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' B' ' 63' ' ' GLY . 64.3 mt -92.48 109.71 21.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 72.5 -28.54 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.972 0.909 . . . . 0.0 112.084 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 165.17 -23.46 0.15 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.11 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.72 0.295 . . . . 0.0 110.618 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.74 121.17 30.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.59 114.63 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 61.7 m80 -75.82 130.02 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.475 HD13 HG11 ' B' ' 22' ' ' VAL . 64.2 mt -116.07 102.08 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -174.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 60.8 m-20 60.11 98.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.917 0.76 . . . . 0.0 109.455 -170.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.93 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.222 0.951 . . . . 0.0 111.968 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.57 -90.07 0.32 Allowed Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.209 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.65 121.2 15.18 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.474 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.17 158.1 53.51 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.27 -41.35 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.735 0.302 . . . . 0.0 110.622 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -29.32 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.455 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -76.91 -44.5 31.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -31.85 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.686 -177.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -87.95 -179.83 6.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.794 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HE2' HG12 ' A' ' 6' ' ' ILE . 85.8 tttt -82.66 134.57 35.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.315 0.579 . . . . 0.0 111.636 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -120.94 110.49 16.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.093 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.739 HG12 ' HE2' ' A' ' 4' ' ' LYS . 1.4 mt -99.39 114.19 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.635 0.255 . . . . 0.0 110.893 -172.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' ILE . 50.0 t80 -100.72 108.61 20.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 0.0 110.599 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -100.4 126.41 46.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.106 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 p80 -150.94 -177.48 6.03 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.875 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.85 17.4 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 15.0 81.45 Favored Glycine 0 C--O 1.231 -0.08 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.033 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.81 154.69 87.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.64 -34.37 73.35 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.883 2.388 . . . . 0.0 112.126 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.436 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 17.2 m -69.33 -34.59 74.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.396 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.16 -47.68 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.569 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t -59.8 -44.01 94.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.244 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 33.0 tt0 -67.16 -49.69 63.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -77.44 -9.81 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 -57.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.94 -47.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.743 0.306 . . . . 0.0 110.726 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -75.54 -3.09 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.649 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -88.97 -34.91 16.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 26' ' ' ILE . . . -75.35 -33.9 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.509 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.28 94.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.662 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 39.5 m-20 -60.79 138.27 93.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.505 -176.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 23.6 Cg_exo -65.05 -15.73 51.86 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.995 2.463 . . . . 0.0 112.037 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 m -89.22 -19.51 25.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 57.1 tttp -88.35 -42.01 12.48 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 72.8 m-85 -134.06 146.65 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.921 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -82.79 91.49 7.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.076 0.465 . . . . 0.0 110.256 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 42.7 t -83.91 116.0 27.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.387 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 7' ' ' PHE . 63.5 mt -99.13 126.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.664 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.08 130.23 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.298 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -95.04 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.06 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.28 -19.02 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.5 5.23 84.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 m -103.12 -28.67 11.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.681 0.276 . . . . 0.0 111.256 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 27.1 t70 -136.88 148.6 47.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 0.0 111.752 -172.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.6 -39.19 24.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.669 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.65 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.271 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 32.1 mmt180 -58.22 -30.33 66.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.568 178.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.17 -44.01 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.122 0.487 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.26 75.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -73.65 -39.56 64.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.433 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.0 -42.32 98.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.484 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.99 -22.78 66.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.311 . . . . 0.0 111.171 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -82.78 -41.17 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.15 86.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.027 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.96 3.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.578 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 51.7 t -87.8 105.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.94 -21.1 15.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m -144.56 167.53 22.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.363 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.37 143.91 46.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.8 0.333 . . . . 0.0 110.726 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -86.35 154.01 50.1 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.24 -1.567 . . . . 0.0 112.929 -1.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -134.32 130.59 37.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.761 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 61' ' ' ILE . 1.5 tt -111.61 111.67 22.83 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.2 t -85.26 95.96 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.898 178.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.516 HG12 HD22 ' A' ' 59' ' ' LEU . 57.7 mt -90.55 114.04 27.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 72.02 -14.66 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.702 0.626 . . . . 0.0 111.758 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.84 -19.86 2.36 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.153 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.69 132.11 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.607 0.242 . . . . 0.0 110.558 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -87.29 126.66 34.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.002 0.43 . . . . 0.0 111.508 -176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.49 109.69 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.534 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.0 m80 -74.15 121.8 21.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.746 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.17 100.62 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 68.0 108.26 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.799 0.687 . . . . 0.0 110.769 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.26 94.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.7 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.95 -71.21 1.26 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.691 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.3 47.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.586 0.231 . . . . 0.0 110.793 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.61 141.87 16.36 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.483 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.1 tt -69.41 -23.56 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.222 0.535 . . . . 0.0 110.516 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.709 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 27.7 t70 -67.85 -26.03 65.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.585 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -78.1 -17.13 57.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.573 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.13 6.55 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 94.0 mttt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.418 0.151 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' B' ' 32' ' ' THR . 50.5 m 56.42 -157.81 0.26 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -134.23 126.48 29.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.418 0.628 . . . . 0.0 111.205 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -118.55 100.62 7.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.152 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 48.2 mt -99.04 119.86 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.463 . . . . 0.0 111.378 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -98.44 120.46 38.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.924 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -105.01 130.87 53.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.457 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 5.0 p80 -159.56 179.85 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.904 0.383 . . . . 0.0 111.117 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.67 24.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.24 23.0 64.1 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.879 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' B' ' 16' ' ' VAL . 14.3 m -77.58 147.27 74.76 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.25 -29.46 57.27 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.651 2.234 . . . . 0.0 112.414 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.53 -51.08 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.278 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 6.4 p -75.57 -20.63 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.308 -176.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.606 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 88.5 t -59.87 -53.23 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.0 m -61.06 -35.34 76.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.741 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 30.4 tt0 -68.91 -30.91 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 67.2 mt-30 -83.15 -20.33 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.536 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 -61.51 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.925 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.59 HG11 HD13 ' B' ' 68' ' ' ILE . 40.0 t -66.57 -40.32 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.666 0.27 . . . . 0.0 111.003 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.62 -8.38 55.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.333 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.406 ' HA ' HD22 ' B' ' 24' ' ' ASN . 11.5 m120 -105.99 -9.09 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.441 173.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -84.85 -44.93 12.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 25' ' ' ALA . 71.6 mt -78.85 106.89 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 14.5 t70 -58.85 122.82 64.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -173.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 27.4 Cg_exo -63.03 -17.51 60.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.261 2.641 . . . . 0.0 113.167 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -103.09 -7.22 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.407 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 45.3 tttp -88.72 -37.82 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.369 175.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' B' ' 2' ' ' ALA . 59.3 m-85 -135.72 140.06 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.775 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 3' ' ' SER . 54.8 m -70.45 95.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.0 110.353 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -80.4 114.9 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 5.9 tp10 -119.47 124.48 46.6 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.6 124.49 63.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.905 0.383 . . . . 0.0 111.312 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -107.67 123.84 63.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.83 119.99 39.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.007 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.9 mt -71.53 -15.0 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -20.95 76.96 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.659 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -83.05 -59.69 2.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.602 ' HB2' ' HG2' ' B' ' 44' ' ' ARG . 56.6 m-20 -124.22 117.63 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.061 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.85 -16.06 62.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.212 0.53 . . . . 0.0 109.96 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.93 65.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.602 ' HG2' ' HB2' ' B' ' 41' ' ' ASP . 42.8 mmt180 -70.81 -13.59 62.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.297 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 73.0 mt -61.01 -51.25 75.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 110.817 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.02 74.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.148 0.499 . . . . 0.0 110.785 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.551 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 48.1 mt-10 -67.15 -42.12 84.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.374 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.25 86.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.672 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 38.7 mt-10 -62.89 -35.98 81.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.643 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -67.64 -30.83 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.097 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 -6.15 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 111.36 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.72 17.89 43.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.116 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 93.6 t -85.92 118.84 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.437 ' O ' HG22 ' B' ' 74' ' ' ILE . 97.2 mttt -101.63 -18.84 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.7 m -144.69 146.16 32.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.631 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.12 -171.49 0.22 Allowed Pre-proline 0 C--O 1.237 0.416 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.631 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.2 Cg_exo 14.53 88.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.33 0 C-N-CA 124.289 3.326 . . . . 0.0 115.561 -136.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.56 155.48 39.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.802 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.4 tt -127.16 128.7 46.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.028 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -103.87 113.11 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -90.75 105.98 16.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 62.29 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.832 0.707 . . . . 0.0 111.21 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.71 10.05 4.28 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.113 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.64 119.08 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.768 0.318 . . . . 0.0 110.406 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.09 117.35 29.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -114.75 107.19 15.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.566 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 63.7 m80 -72.37 116.66 13.07 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.59 HD13 HG11 ' B' ' 22' ' ' VAL . 61.9 mt -100.36 99.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -172.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.31 100.27 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.982 0.802 . . . . 0.0 109.333 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -39.64 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 124.337 1.023 . . . . 0.0 111.892 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.02 -94.79 0.25 Allowed Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.739 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.68 150.25 44.66 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.398 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.423 ' HA3' ' OD1' ' B' ' 76' ' ' ASP . . . -63.85 127.62 36.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.599 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 54' ' ' LYS . 13.4 tt -73.14 -27.18 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.102 0.477 . . . . 0.0 110.511 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 18.0 t70 -80.19 -22.34 42.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.505 0.669 . . . . 0.0 109.463 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.423 ' OD1' ' HA3' ' B' ' 73' ' ' GLY . 4.5 m-20 -72.42 -30.17 64.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.346 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.85 -16.01 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 94.3 mttt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.676 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.291 0.567 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.428 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 68.9 m -84.99 177.65 7.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.681 -174.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -104.83 128.0 52.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -119.62 117.61 28.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.225 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.91 114.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.097 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -100.33 106.48 18.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.665 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -92.78 129.74 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.719 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 27.4 p80 -155.42 173.28 16.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.865 173.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.22 -8.21 13.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.9 -7.25 57.23 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.635 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HG ' ' HG ' ' A' ' 15' ' ' CYS . 23.0 p -65.45 159.3 68.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.143 0.471 . . . . 0.0 110.568 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.99 -41.02 26.21 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.364 2.709 . . . . 0.0 113.422 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.65 -38.44 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 110.779 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 67.2 m -71.65 -39.81 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.71 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.939 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 110.82 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.93 77.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.51 -46.8 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.838 -176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.63 -69.49 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.828 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.83 -48.82 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.497 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.14 -3.44 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 111.581 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -103.4 -27.54 12.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 0.0 109.774 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.13 55.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -73.19 131.73 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.33 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 12.5 t70 -66.37 123.63 85.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.507 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.15 -25.81 81.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.176 2.584 . . . . 0.0 113.516 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.4 m -93.72 -16.23 24.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 110.619 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 88.2 tttt -85.34 -33.67 22.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.999 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 3' ' ' SER . 24.0 m-85 -137.1 125.25 23.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.45 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -74.83 93.52 2.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -92.72 108.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -175.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -106.25 127.88 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.9 mt -96.62 134.37 34.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.0 t -118.52 115.06 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.987 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -92.18 106.29 18.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.821 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.56 -16.02 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.396 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.73 -12.21 83.07 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.546 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.0 m -83.29 -44.94 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HB3' ' HG3' ' A' ' 44' ' ' ARG . 16.6 t0 -139.18 132.04 29.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -77.19 -23.93 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.327 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.46 64.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.908 0.385 . . . . 0.0 110.691 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 9.8 mtp180 -75.05 -17.71 60.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.552 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.2 -38.16 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.122 0.487 . . . . 0.0 109.926 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -63.56 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.131 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 45.4 mt-10 -62.04 -33.05 73.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.717 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.96 -46.62 86.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.32 -34.02 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.953 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 65.1 mttm -64.97 -39.44 93.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.544 178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.09 -19.82 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.284 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.43 24.05 8.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.544 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -85.32 114.55 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -98.2 -22.19 16.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.238 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -146.28 163.02 36.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.28 144.61 36.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.684 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 93.2 Cg_endo -85.91 156.66 57.03 Favored 'Cis proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.195 -1.585 . . . . 0.0 112.991 -0.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -137.5 131.0 31.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.3 tt -103.51 107.5 18.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -89.91 107.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.213 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -103.75 107.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.27 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.14 29.41 16.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.693 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.62 -19.01 37.05 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.67 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.67 111.72 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.456 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.39 107.43 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.056 0.455 . . . . 0.0 111.033 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.98 102.3 14.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.083 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -69.57 129.04 38.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.659 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' B' ' 66' ' ' PHE . 53.2 mt -108.6 97.09 5.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 69.12 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.877 0.736 . . . . 0.0 111.016 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -68.65 95.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.34 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.45 -65.07 1.11 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.648 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.53 137.76 35.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.549 0.214 . . . . 0.0 110.673 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.43 149.41 30.45 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.449 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.43 -28.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.28 0.562 . . . . 0.0 110.391 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.28 -33.28 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.949 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.57 -17.98 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.804 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.88 -23.17 42.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 -178.135 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.95 168.15 11.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -96.86 131.56 43.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.221 0.534 . . . . 0.0 111.583 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' B' ' 33' ' ' VAL . . . -124.8 136.23 53.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.507 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.31 125.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 110.558 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HD2' HG23 ' B' ' 35' ' ' ILE . 77.3 t80 -100.71 117.07 34.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.034 177.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.72 129.22 44.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.812 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.4 p80 -136.72 173.12 12.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.77 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.7 18.55 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.69 64.52 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.09 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 47.5 m -135.54 161.97 59.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 12.6 Cg_endo -57.04 -33.35 95.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.649 2.233 . . . . 0.0 112.152 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.41 -37.68 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 24.7 m -62.97 -50.38 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.644 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.55 -46.07 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -61.81 -48.53 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.935 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.8 78.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.426 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 37.7 tt0 -67.6 -53.71 25.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -77.9 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.82 -63.37 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 111.543 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.29 -46.61 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.578 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.23 -32.23 72.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.685 0.279 . . . . 0.0 110.996 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.29 -24.85 54.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.58 88.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.7 mt -78.64 114.45 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.624 ' HB2' ' HB2' ' B' ' 30' ' ' LYS . 36.5 m-20 -62.91 128.82 92.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.891 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 24.3 Cg_exo -64.37 -19.17 65.23 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.817 2.345 . . . . 0.0 111.701 177.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.53 0.57 57.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.811 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 42.1 tttp -107.56 -48.3 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.46 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.79 157.26 44.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.902 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -96.6 99.67 11.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' B' ' 5' ' ' ALA . 48.6 t -104.83 125.7 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -117.83 144.31 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.918 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.578 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.4 mt -115.11 127.15 72.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.49 130.58 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.285 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -80.81 123.05 27.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.86 7.91 11.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.257 0.551 . . . . 0.0 110.651 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.93 29.96 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.732 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -155.23 -45.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.413 ' OD1' ' HG3' ' B' ' 44' ' ' ARG . 13.9 t70 -85.78 113.27 21.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.967 0.413 . . . . 0.0 110.564 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.7 6.31 42.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.765 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.87 -42.42 10.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 0.0 110.236 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.413 ' HG3' ' OD1' ' B' ' 41' ' ' ASP . 66.4 mtp180 -75.58 -3.93 37.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.016 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.34 -30.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.8 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.742 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.18 -47.52 85.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.206 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.18 -40.13 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.637 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -60.85 -37.45 82.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.294 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.19 -44.63 14.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.447 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.28 29.92 0.82 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.181 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 13.3 t -95.32 135.17 30.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -122.32 -18.06 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.879 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 27.7 m -136.88 144.82 43.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.522 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.632 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 4.3 m -88.63 -163.02 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.003 -0.522 . . . . 0.0 109.697 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.812 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 8.6 Cg_exo 11.41 85.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.345 2.697 . . . . 0.0 114.313 -137.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.58 155.95 40.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.018 -177.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.9 tp -111.31 111.94 23.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.009 0.433 . . . . 0.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -97.95 102.97 14.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -96.66 111.95 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 -177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t70 65.03 8.41 4.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.702 175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.56 -14.51 10.75 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.4 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.01 23.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.32 108.05 15.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.381 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.5 m-85 -100.56 97.87 8.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 109.882 176.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 53.2 m80 -71.21 125.53 27.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.112 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.43 112.15 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.747 0.308 . . . . 0.0 111.155 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 94.1 m-20 61.87 -89.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.444 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 179.77 91.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.864 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.6 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -80.37 -91.23 0.48 Allowed Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.85 -174.93 4.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.879 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -137.65 177.47 19.87 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.942 -1.123 . . . . 0.0 112.421 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.52 -32.47 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.4 -39.24 60.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.128 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.92 -49.82 16.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 0.0 110.713 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.14 -35.12 71.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.932 -173.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 tttm . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 -178.037 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -89.48 -91.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -175.42 141.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.816 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -132.53 107.72 8.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.694 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 26.3 mt -95.48 137.01 24.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -122.38 97.26 5.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.808 0.337 . . . . 0.0 110.743 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.63 125.76 33.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.752 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 15.4 p80 -143.9 -179.2 6.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.476 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 56' ' ' VAL . . . -122.43 10.88 9.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' HA3' ' HE2' ' A' ' 37' ' ' HIS . . . 67.89 65.68 2.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.679 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.8 p -139.48 163.9 42.17 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 4.9 Cg_endo -48.01 -41.16 33.47 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.131 2.554 . . . . 0.0 112.925 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.39 -36.46 69.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.841 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.752 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 60.8 m -69.12 -38.86 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -65.8 -39.0 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -58.45 -49.4 77.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 29.6 tt0 -66.56 -49.52 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.039 179.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -84.44 -4.11 58.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.69 -68.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.823 0.344 . . . . 0.0 111.346 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.4 -52.22 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.19 -0.49 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.19 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -93.36 -32.95 14.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.353 0.597 . . . . 0.0 109.539 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.06 56.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.471 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.2 mt -71.91 95.35 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.529 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.703 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 14.7 t70 -63.85 132.45 95.24 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.907 -176.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.28 -9.36 25.63 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.09 2.527 . . . . 0.0 113.347 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 t -104.15 -5.31 22.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.189 0.519 . . . . 0.0 109.663 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 49.6 tttp -93.26 -41.87 9.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.311 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.06 142.75 30.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.852 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -68.55 99.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.577 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.5 t -80.73 117.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.39 96.5 5.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -84.89 127.28 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.986 0.422 . . . . 0.0 110.796 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.19 117.4 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 63.8 t-80 -84.01 83.03 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.45 -12.17 60.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.49 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.68 95.48 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.018 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 t -109.77 -16.21 13.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.805 0.336 . . . . 0.0 110.699 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' HIS . 0.8 OUTLIER -85.4 43.75 1.04 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 109.561 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.07 -26.45 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.706 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -19.46 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.0 111.407 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 ttp180 -100.68 15.3 28.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.447 0.641 . . . . 0.0 110.445 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.546 HG13 HD11 ' A' ' 74' ' ' ILE . 17.0 tt -58.23 -28.9 36.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.452 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.0 74.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.206 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' OE1' ' HD2' ' A' ' 44' ' ' ARG . 34.1 tt0 -75.58 -36.89 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.007 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -58.55 -40.09 82.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.555 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.85 -37.37 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.166 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.94 -24.35 24.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.288 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.19 -31.63 43.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 28.95 5.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.087 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 59.0 t -87.59 103.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.921 0.391 . . . . 0.0 110.25 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.97 -19.69 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.641 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -149.74 166.51 29.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 10' ' ' ALA . 21.5 m -128.74 147.24 63.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.345 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.1 Cg_endo -77.9 154.0 93.81 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.049 -1.646 . . . . 0.0 112.981 -0.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.62 129.71 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.828 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 tp -101.57 107.17 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.193 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 46.1 t -98.7 99.03 7.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.196 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 63' ' ' GLY . 63.8 mt -94.42 113.99 30.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.416 -178.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.77 -27.53 0.16 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.861 0.864 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 156.76 -14.96 0.35 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.291 -0.481 . . . . 0.0 112.188 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.97 133.75 34.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.582 0.229 . . . . 0.0 110.405 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.32 115.47 27.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 0.0 111.963 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -115.02 105.18 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.584 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.4 m80 -71.94 145.56 48.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.404 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.569 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 48.8 mm -109.21 102.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 63.17 -163.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 110.043 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -135.52 94.04 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.044 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.42 -62.11 1.35 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.174 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 144.12 38.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.64 146.91 18.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.383 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.546 HD11 HG13 ' A' ' 45' ' ' ILE . 14.0 tt -65.49 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.209 0.528 . . . . 0.0 110.032 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.93 -33.74 72.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.192 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.36 -33.56 73.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.79 -22.78 56.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 99.4 mttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.33 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -62.84 155.71 26.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 6' ' ' ILE . 38.8 ttpt -75.18 117.32 16.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.41 . . . . 0.0 111.027 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -108.32 106.98 17.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.6 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.532 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.1 mt -95.87 115.72 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.175 0.512 . . . . 0.0 110.791 -174.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.547 ' HE1' HD12 ' B' ' 68' ' ' ILE . 49.8 t80 -94.69 103.73 15.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.951 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -96.89 113.21 24.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.462 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.46 ' ND1' ' HB3' ' B' ' 15' ' ' CYS . 5.7 p80 -133.78 153.69 51.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.501 ' H ' ' HD3' ' B' ' 57' ' ' PRO . . . -161.35 77.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.364 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' B' ' 12' ' ' CYS . . . -172.54 -105.72 0.19 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.582 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 8.8 m -172.41 -64.41 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 123.039 0.536 . . . . 0.0 111.513 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 23.9 Cg_exo -61.93 -62.84 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.134 1.889 . . . . 0.0 113.22 -169.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -24.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.441 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 35.1 m -66.93 -51.82 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.678 -173.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 66.1 t -59.34 -52.0 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.089 -177.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -64.96 -37.39 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.884 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.565 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -69.57 -40.34 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.544 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 92.9 mt-30 -76.61 -12.69 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 -67.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.708 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.36 -45.75 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.65 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -96.7 -31.94 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.76 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.37 86.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.573 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 1.6 p30 -97.04 163.66 19.53 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.058 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 9.4 Cg_endo -53.25 -14.23 4.03 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.724 2.95 . . . . 0.0 115.197 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 -4.8 56.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.315 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 74.9 mmtt -114.02 -50.56 2.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 177.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 79.5 m-85 -139.82 169.46 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.763 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.8 m -89.18 98.61 11.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.62 116.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.343 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 6.5 mm-40 -115.62 98.09 6.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' B' ' 7' ' ' PHE . 70.0 mt -89.36 121.08 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.414 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.19 120.49 58.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.352 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -81.13 117.54 21.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 10' ' ' ALA . 36.3 tp -85.57 -13.0 50.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.908 -174.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.58 53.14 2.37 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.911 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -149.87 -53.98 0.16 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.036 0.446 . . . . 0.0 110.114 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.69 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 tttp -75.69 -17.78 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.48 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.5 -17.63 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.43 -19.3 65.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.03 -33.18 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.959 -173.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.88 84.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.198 0.523 . . . . 0.0 110.948 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.63 -30.72 57.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.998 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.41 99.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.471 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.0 -39.75 90.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.36 -43.88 84.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.712 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.269 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.54 18.83 10.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.314 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.32 88.87 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.949 0.404 . . . . 0.0 109.919 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.405 ' O ' HG22 ' B' ' 74' ' ' ILE . 86.6 tttt -84.21 -31.62 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.588 0.709 . . . . 0.0 109.873 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.547 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 16.6 m -122.72 138.88 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.062 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' B' ' 72' ' ' ALA . 1.3 t -80.21 -156.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.62 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 7.9 Cg_exo 1.94 89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.973 2.448 . . . . 0.0 115.031 -139.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -144.11 159.97 41.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.6 tt -117.16 114.55 23.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 0.0 110.153 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 37.2 t -93.18 99.51 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.421 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.46 104.59 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.6 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 69.42 -7.95 0.79 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.552 0.741 . . . . 0.0 111.965 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.05 -23.96 2.25 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.94 112.06 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 110.336 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -84.03 109.47 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.309 -178.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.93 112.49 24.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.794 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -73.58 129.67 38.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.542 -177.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.547 HD12 ' HE1' ' B' ' 7' ' ' PHE . 58.4 mt -99.44 98.87 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 62.77 -169.82 0.18 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.147 -170.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -90.63 85.73 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 -81.86 0.12 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.887 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.748 ' HB3' ' HB ' ' B' ' 56' ' ' VAL . . . -139.46 175.74 9.31 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.624 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.78 127.57 8.49 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.232 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.405 HG22 ' O ' ' B' ' 54' ' ' LYS . 14.6 tt -68.65 -31.86 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.386 0.593 . . . . 0.0 110.545 -177.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.547 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 8.1 t70 -75.92 -23.45 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.51 . . . . 0.0 109.727 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.41 -35.13 77.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.613 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.08 6.38 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.735 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 99.7 mttt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.817 0.342 . . . . 0.0 110.334 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.721 0.296 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 32' ' ' THR . 3.0 p -99.66 163.42 12.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.369 . . . . 0.0 111.717 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' A' ' 34' ' ' GLU . 23.2 ttmm -96.15 131.01 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.74 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.63 100.57 4.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.931 HG13 ' HB ' ' A' ' 60' ' ' VAL . 3.6 pt -95.47 125.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.231 0.539 . . . . 0.0 111.312 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' HE1' HD12 ' A' ' 68' ' ' ILE . 76.2 t80 -109.86 110.43 21.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.397 -175.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 6' ' ' ILE . 61.0 m-85 -100.91 140.08 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.648 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 23.6 p80 -162.07 179.23 8.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.707 0.289 . . . . 0.0 110.827 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -121.81 17.57 11.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.84 55.03 4.64 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.307 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.46 154.9 39.59 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -52.95 -40.07 77.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.8 t -61.56 -34.03 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 21.2 m -65.4 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.557 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.52 -44.86 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 m -65.05 -40.24 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.35 77.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.03 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.56 -47.28 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.061 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -79.35 -15.17 58.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.694 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 -68.8 0.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.06 -53.11 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.708 0.289 . . . . 0.0 111.403 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -75.81 3.52 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.061 0.457 . . . . 0.0 111.489 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -110.62 -26.52 9.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.964 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.92 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.586 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.87 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.762 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 10.7 t70 -92.27 132.84 31.16 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 52.9 Cg_exo -55.47 -29.85 70.91 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.128 2.552 . . . . 0.0 113.264 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -67.49 -29.86 69.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -79.58 -73.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.313 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 67.5 m-85 -121.95 139.42 53.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.199 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' SER . 6.5 t -92.3 114.74 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.07 0.462 . . . . 0.0 109.812 175.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' HB1' ' A' ' 23' ' ' ALA . 46.2 t -80.83 105.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 6' ' ' ILE . 38.8 mt-10 -103.31 102.64 12.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.043 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.71 128.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.58 120.2 57.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -85.68 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.844 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -81.52 -6.22 58.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.84 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.48 40.6 2.7 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.617 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.4 -60.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.366 . . . . 0.0 111.195 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -120.18 135.11 55.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 -173.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.33 -27.97 52.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.027 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.95 -36.0 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.908 0.385 . . . . 0.0 110.417 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 43.2 mtp180 -72.75 -11.24 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.402 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 71.1 mt -66.22 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 171.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.24 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 33.0 tt0 -63.18 -43.37 98.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.801 175.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.08 -38.64 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.728 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 40.2 mt-10 -63.22 -37.94 89.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.7 -39.26 87.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -35.35 80.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.892 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.45 7.79 11.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.286 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 69.1 t -65.53 123.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.431 . . . . 0.0 110.641 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -122.46 -12.76 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.68 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.482 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 4.8 p -156.52 169.61 24.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.983 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.55 144.09 45.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.671 0.272 . . . . 0.0 110.668 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -83.97 154.21 67.54 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.013 -1.661 . . . . 0.0 112.915 -1.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -130.4 130.55 44.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.376 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.4 tp -105.3 104.61 14.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.853 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.931 ' HB ' HG13 ' A' ' 6' ' ' ILE . 44.1 t -92.17 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.211 0.529 . . . . 0.0 110.223 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -93.32 114.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.283 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 70.92 -45.01 0.6 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.879 0.737 . . . . 0.0 112.203 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.09 -23.08 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.267 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.57 139.21 30.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.58 0.229 . . . . 0.0 110.421 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -97.63 116.91 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -176.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.55 105.1 13.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.839 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.6 m80 -72.49 143.78 48.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' B' ' 66' ' ' PHE . 58.3 mt -117.74 95.25 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.579 0.228 . . . . 0.0 110.448 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.97 103.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.18 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -63.31 108.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.976 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.37 -55.7 0.8 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.419 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.31 165.16 27.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -103.85 166.28 15.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.752 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.7 tt -67.61 -27.57 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 0.0 110.013 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 5.9 m-20 -64.45 -26.17 68.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.23 -36.58 84.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.559 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 10' ' ' ALA . 89.9 mt -93.61 -22.5 18.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.275 0.56 . . . . 0.0 110.518 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 50.8 tttm . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.731 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -100.65 179.92 4.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.05 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' B' ' 6' ' ' ILE . 22.4 ttmm -112.3 133.32 54.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.321 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.12 100.47 4.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.145 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' B' ' 4' ' ' LYS . 43.7 mt -95.46 136.42 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.566 -175.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' B' ' 68' ' ' ILE . 68.7 t80 -118.52 116.78 27.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -105.75 130.04 53.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.729 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 14.6 p80 -155.7 164.04 39.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.734 175.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.28 13.05 10.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.846 0.355 . . . . 0.0 111.138 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.64 98.37 1.41 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.734 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 p -171.0 155.94 4.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.46 -27.76 41.54 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.093 2.529 . . . . 0.0 113.035 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.61 -50.98 75.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.632 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 18.5 p -77.1 -24.57 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.416 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.54 -54.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.6 m -66.99 -35.1 79.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.9 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.0 tt0 -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.456 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.56 -39.84 95.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.594 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.09 -63.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.02 -43.68 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.754 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -72.47 -10.13 59.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.453 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -105.77 -7.16 18.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -81.78 -38.08 26.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -83.65 134.41 27.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.6 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.92 126.07 66.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.668 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 25.1 Cg_endo -61.92 -17.78 57.51 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.459 2.772 . . . . 0.0 113.532 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -67.5 -25.75 66.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 0.0 110.135 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' B' ' 2' ' ' ALA . 45.7 mtmt -107.29 -34.02 7.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 51.4 m-85 -130.69 127.55 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.3 -0.25 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -86.75 121.68 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.64 104.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.544 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.15 94.48 6.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.005 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.508 HG12 ' HB3' ' B' ' 7' ' ' PHE . 71.8 mt -85.87 121.03 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.44 124.2 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -89.71 108.49 19.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.551 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.449 HD12 HG12 ' B' ' 56' ' ' VAL . 93.6 mt -80.12 -6.28 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.345 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.42 -34.9 15.45 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 95.1 m -74.08 -44.2 54.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.478 . . . . 0.0 110.412 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 11.7 t70 -125.16 104.15 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.64 4.71 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 109.612 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HG2' ' OD1' ' B' ' 41' ' ' ASP . 28.4 mmm180 -65.07 -19.74 66.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 175.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.8 -36.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.336 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -63.28 -37.43 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.411 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.42 -46.18 87.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.108 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.67 -37.58 84.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.652 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.89 -37.72 88.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.057 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 83.4 mttt -59.54 -53.02 62.95 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 110.487 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.84 89.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.25 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.71 34.41 0.86 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.462 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.1 t -79.33 115.88 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.8 -31.37 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.446 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.5 m -146.56 150.88 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.855 0.36 . . . . 0.0 111.444 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' B' ' 57' ' ' PRO . 12.0 m -79.96 -162.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.518 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.271 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.729 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 11.14 86.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 123.68 2.92 . . . . 0.0 114.88 -136.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.2 154.77 42.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 113.782 -1.554 . . . . 0.0 109.608 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' B' ' 68' ' ' ILE . 56.4 tp -113.6 121.53 44.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 0.0 110.618 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 47.2 t -98.96 103.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.034 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -92.74 107.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 66.15 -65.99 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.187 0.929 . . . . 0.0 112.036 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.08 11.31 0.49 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.302 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.1 55.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.777 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.64 119.77 32.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.05 0.452 . . . . 0.0 111.324 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.481 ' HB3' HG23 ' A' ' 68' ' ' ILE . 93.9 m-85 -116.6 103.66 10.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.009 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 74.6 m80 -68.06 123.41 20.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.173 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.578 HD12 ' HE1' ' B' ' 7' ' ' PHE . 54.9 mt -92.4 101.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 61.43 -160.48 0.3 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -170.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.0 98.67 8.34 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -94.65 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.167 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.92 128.9 23.51 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.244 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.6 137.4 46.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.475 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 tt -67.83 -25.51 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 117.261 0.531 . . . . 0.0 110.197 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -36.51 71.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.276 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.39 -27.61 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.744 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.37 -58.37 2.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.192 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.393 -174.313 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -66.83 145.38 55.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.291 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 32' ' ' THR . 21.7 pttp -86.39 120.24 27.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.53 0.681 . . . . 0.0 111.111 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -85.7 114.62 22.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.38 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 6.3 mt -95.2 118.21 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.931 0.396 . . . . 0.0 110.889 -173.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.32 102.56 14.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.739 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -92.26 124.47 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p80 -149.02 170.8 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 175.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.33 18.7 9.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.648 0.261 . . . . 0.0 111.567 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.62 61.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.82 143.07 77.61 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.56 -26.26 21.82 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.907 2.404 . . . . 0.0 112.77 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.39 -38.99 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.526 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.574 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 30.3 p -75.78 -19.31 59.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.507 -172.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.47 -45.02 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 110.129 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -65.42 -44.79 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.64 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.321 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.12 -53.16 49.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.79 1.13 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.47 -67.76 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.3 -51.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.115 -175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.76 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -87.11 -35.96 18.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -35.1 77.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.706 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -81.43 92.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.9 OUTLIER -86.16 165.03 36.13 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.697 -178.359 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 27' ' ' ASP . 11.5 Cg_endo -55.97 -21.98 36.48 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.104 2.536 . . . . 0.0 114.22 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.5 t -80.84 -14.99 57.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.193 0.521 . . . . 0.0 110.139 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' B' ' 25' ' ' ALA . 50.2 tptt -92.29 -59.35 2.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 66.2 m-85 -149.1 164.42 34.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.623 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 28.7 m -78.27 121.3 24.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.11 125.89 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.826 0.346 . . . . 0.0 111.131 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 39.9 tt0 -132.5 114.34 14.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.48 130.63 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.653 0.263 . . . . 0.0 110.622 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.65 128.81 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -93.03 116.59 29.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.634 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.96 -4.82 39.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.538 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.32 38.96 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.92 -173.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -157.89 -64.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.912 0.387 . . . . 0.0 110.478 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -86.43 112.52 21.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.138 0.494 . . . . 0.0 110.718 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' A' ' 45' ' ' ILE . 48.6 mttp -74.91 -22.21 58.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.685 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.75 66.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.226 0.536 . . . . 0.0 110.772 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -84.04 -22.4 31.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.052 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 42' ' ' LYS . 1.8 mp -64.62 -43.11 96.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.113 177.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.199 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -83.63 -36.87 23.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.667 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.01 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.67 -30.36 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.35 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -40.97 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.8 -11.48 60.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.89 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.86 7.54 29.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.553 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -80.51 105.3 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.375 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.67 -18.86 13.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.376 0.608 . . . . 0.0 110.251 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -144.92 167.86 21.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.807 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.35 144.17 48.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.771 0.32 . . . . 0.0 110.36 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 91.5 Cg_endo -82.3 148.1 67.33 Favored 'Cis proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.968 -1.68 . . . . 0.0 113.126 0.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.57 122.4 34.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.153 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.2 tt -105.83 110.96 23.43 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.6 t -83.27 103.16 10.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.238 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.18 104.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.516 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.45 40.13 27.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.047 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.08 -23.29 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.02 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.82 116.89 29.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 110.777 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.61 119.37 23.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 0.0 111.58 -178.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -117.72 114.2 22.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.525 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.9 m80 -76.45 138.33 40.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.508 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' B' ' 66' ' ' PHE . 43.3 mm -116.59 96.74 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.541 -177.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 66.46 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.231 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.91 106.14 1.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.038 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.82 -49.29 0.85 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.75 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.38 158.43 44.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.567 0.222 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.7 145.32 15.94 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 45' ' ' ILE . 12.4 tt -74.07 -22.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.257 0.551 . . . . 0.0 110.3 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 23.4 t70 -76.08 -27.73 57.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.202 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.436 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.38 10.9 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.357 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 93.0 mttt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' B' ' 31' ' ' TYR . 3.7 m -68.45 174.44 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.026 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.516 ' HE3' HD11 ' B' ' 6' ' ' ILE . 58.6 pttt -125.95 157.52 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.38 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -116.45 114.4 24.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.813 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.516 HD11 ' HE3' ' B' ' 4' ' ' LYS . 17.1 mt -96.61 110.47 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.46 ' HD1' ' HB2' ' B' ' 59' ' ' LEU . 79.3 t80 -96.49 113.87 25.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.826 0.345 . . . . 0.0 110.212 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.127 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.7 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -145.21 -178.84 6.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.864 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.36 21.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.25 77.82 1.25 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.059 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 45.5 m -138.47 149.87 64.35 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.47 -37.81 89.79 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.801 2.334 . . . . 0.0 111.792 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.22 -39.12 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.781 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 27.3 m -65.58 -36.73 84.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.07 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 47.3 t -63.33 -55.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.309 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -37.43 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.213 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.52 87.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 111.012 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.1 tt0 -69.22 -34.27 74.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.735 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 68.9 mt-30 -92.27 -2.31 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.632 -176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.55 -67.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.506 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.64 -48.31 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -78.78 7.58 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.876 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -108.2 -32.95 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.616 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -66.74 -37.0 83.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.651 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.0 mt -93.38 86.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.539 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 3.3 p30 -83.82 157.49 63.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.491 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 27.9 Cg_endo -62.23 -5.9 7.35 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.36 2.707 . . . . 0.0 114.138 -174.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -84.1 -14.97 49.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.446 0.641 . . . . 0.0 109.524 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -103.36 -58.43 1.88 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.584 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 95.8 m-85 -140.49 155.96 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.788 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.6 p -90.6 129.51 36.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.805 0.335 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.77 126.68 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.787 0.327 . . . . 0.0 110.976 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -119.91 120.35 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.83 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.444 HD13 ' HB3' ' B' ' 7' ' ' PHE . 34.8 mm -96.16 125.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.152 -178.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.86 125.31 70.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 111.254 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -92.89 107.66 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.635 HD12 HG12 ' B' ' 56' ' ' VAL . 55.5 mt -72.66 -15.73 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.621 -175.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.48 7.22 61.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.785 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -107.96 -19.82 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 111.222 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -147.48 129.61 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.063 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' B' ' 45' ' ' ILE . 60.8 mttp -82.01 -31.83 30.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.328 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 110.904 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.985 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' B' ' 42' ' ' LYS . 80.5 mt -63.22 -50.68 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.0 -34.4 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.411 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.45 -38.47 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -63.48 -40.89 98.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HG2' HD13 ' B' ' 74' ' ' ILE . 39.1 mt-10 -63.96 -30.65 71.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 95.7 mttt -63.03 -45.15 93.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.066 0.46 . . . . 0.0 110.225 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.19 -20.89 60.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.731 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 10.05 12.87 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 47.0 t -84.0 111.37 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -110.33 -3.2 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.318 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 47.8 m -144.21 149.32 36.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.867 0.365 . . . . 0.0 111.385 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.635 HG12 HD12 ' B' ' 38' ' ' LEU . 8.4 m -85.3 -168.55 0.19 Allowed Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.65 ' HG3' ' SG ' ' B' ' 15' ' ' CYS . 6.3 Cg_exo 12.4 85.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 123.375 2.717 . . . . 0.0 114.577 -135.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -147.39 157.29 43.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.795 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' B' ' 5' ' ' ALA . 10.1 tt -133.9 129.51 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.059 0.457 . . . . 0.0 110.614 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 5' ' ' ALA . 63.4 t -101.24 113.63 37.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.788 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -90.94 111.97 24.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.84 -69.18 0.17 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.856 0.722 . . . . 0.0 110.93 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.95 16.05 0.24 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.928 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.99 125.58 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 110.246 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.21 120.29 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.591 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.435 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.4 m-85 -119.84 103.31 9.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.014 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.9 m80 -71.31 125.4 26.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.851 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.5 107.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.4 m-20 62.99 -161.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.206 -173.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -109.2 94.2 4.91 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.4 -97.03 0.2 Allowed Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.82 164.28 30.37 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.202 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' ASP . . . -75.27 151.74 42.4 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.804 -1.188 . . . . 0.0 110.386 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' B' ' 49' ' ' GLU . 17.2 tt -70.08 -19.3 22.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 117.58 0.69 . . . . 0.0 109.917 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.22 -14.47 58.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 73' ' ' GLY . 2.4 m-20 -64.04 -33.94 76.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.144 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.441 HD11 HG11 ' B' ' 56' ' ' VAL . 69.2 mt -70.59 -27.59 64.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.545 -177.353 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 23.2 t -79.28 148.65 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.448 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HE3' HD11 ' A' ' 6' ' ' ILE . 62.8 tttp -76.01 114.24 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.608 -178.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.71 107.23 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.866 0.365 . . . . 0.0 110.765 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.582 HD11 ' HE3' ' A' ' 4' ' ' LYS . 51.3 mt -95.1 125.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 110.698 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -99.9 100.52 11.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 57' ' ' PRO . 72.9 m-85 -88.9 128.41 35.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.851 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 p80 -148.51 156.84 42.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . . . -142.07 13.29 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.87 -109.87 1.46 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.004 -1.093 . . . . 0.0 111.499 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.4 t -174.46 -64.11 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.057 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 10.2 Cg_endo -50.27 -72.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.677 2.251 . . . . 0.0 113.604 -171.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.99 -22.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.317 0.58 . . . . 0.0 110.997 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 56.2 m -69.97 -47.23 63.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.898 -177.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 12' ' ' CYS . 90.6 t -66.07 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.627 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 m -56.3 -45.56 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.0 110.27 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.55 58.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 25.9 tt0 -64.67 -43.79 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.015 0.436 . . . . 0.0 110.83 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.05 -30.31 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.787 -177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 -66.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.49 -47.29 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.663 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.32 -16.11 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -102.2 -14.9 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.685 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.09 -31.55 56.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.197 0.523 . . . . 0.0 109.833 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -87.68 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.472 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 14.5 t70 -86.09 130.77 48.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 22.9 Cg_exo -66.02 -12.67 36.39 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.062 2.508 . . . . 0.0 113.413 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -101.31 -1.2 34.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.405 0.621 . . . . 0.0 110.147 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 51.3 tttp -100.24 -42.55 6.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.601 174.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.712 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 54.4 m-85 -136.04 138.73 42.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.395 175.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -83.05 93.95 7.69 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.94 112.9 19.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.18 110.65 22.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.288 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.13 116.3 29.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.71 0.29 . . . . 0.0 110.572 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.09 124.28 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.93 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 9' ' ' HIS . 38.7 t-80 -98.51 109.76 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.163 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 91.6 mt -73.37 -11.36 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.45 -19.77 65.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.871 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -94.74 -35.2 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.024 0.44 . . . . 0.0 110.726 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.0 119.04 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.356 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -83.29 -17.46 42.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.499 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -34.23 43.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 0.0 110.378 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -63.97 -21.03 66.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.052 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.51 -40.91 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.062 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -68.56 -38.18 80.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.03 -47.83 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.088 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.85 -40.41 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.248 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.6 -45.13 95.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 98.0 mttt -65.52 -32.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.707 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.88 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.67 15.75 7.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.919 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 53.9 t -75.95 117.13 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.218 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -97.01 -33.47 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.349 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.0 m -145.89 166.78 24.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 111.08 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.851 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 29.6 m -130.53 152.18 79.93 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.962 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 74.4 Cg_endo -76.53 149.27 90.84 Favored 'Cis proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.099 -1.626 . . . . 0.0 112.697 1.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.08 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 tp -99.16 103.14 15.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.824 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.86 99.47 9.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.67 105.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.51 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.34 29.04 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.456 0.646 . . . . 0.0 111.315 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.78 -24.01 20.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.69 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.23 111.79 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.845 0.355 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.32 112.39 20.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.36 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.31 100.42 9.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.988 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -67.97 131.78 46.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.099 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' B' ' 66' ' ' PHE . 57.7 mt -108.08 100.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 62.24 -164.85 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.039 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -128.04 110.73 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.99 -64.16 0.57 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.449 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 151.18 46.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -108.28 152.89 16.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.716 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.72 -24.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.426 0.631 . . . . 0.0 109.91 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.46 -24.45 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.376 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -85.14 -32.73 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.67 -20.45 64.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.631 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.954 0.407 . . . . 0.0 111.398 -178.263 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.433 ' HB3' ' OD1' ' B' ' 62' ' ' ASP . 25.4 m -71.11 157.82 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.678 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -107.69 149.74 27.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.721 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -122.9 117.39 25.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.485 177.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.844 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.5 pt -99.55 119.14 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 111.288 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' B' ' 35' ' ' ILE . 81.3 t80 -100.78 119.53 38.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.83 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.52 128.74 52.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.293 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -158.4 165.87 33.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.754 173.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.63 23.26 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.21 73.74 1.27 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.664 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.437 ' O ' HG23 ' B' ' 16' ' ' VAL . 58.4 m -127.01 148.55 66.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.85 -18.49 64.91 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.339 2.026 . . . . 0.0 112.093 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.44 -43.48 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.255 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.723 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 17.0 p -76.58 -20.33 56.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.699 -173.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 12' ' ' CYS . 97.1 t -56.47 -48.58 79.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.027 0.442 . . . . 0.0 110.364 177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.8 m -63.69 -41.48 98.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.658 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.28 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.104 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.9 tt0 -67.72 -29.79 69.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -93.9 -23.86 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 -60.97 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.03 -39.81 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.721 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -80.83 9.57 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.71 -21.42 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 169.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.712 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.8 -45.42 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -101.26 97.56 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 8.1 p-10 -79.45 144.86 62.39 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -175.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 42.6 Cg_exo -58.69 -17.79 37.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.369 2.713 . . . . 0.0 113.341 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 -10.58 50.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.016 0.436 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -99.9 -47.92 4.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 96.1 m-85 -135.59 143.06 45.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.594 173.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -71.46 96.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.995 0.426 . . . . 0.0 111.07 -175.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.72 122.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.923 0.392 . . . . 0.0 110.544 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -121.44 119.85 33.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.173 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' B' ' 7' ' ' PHE . 48.2 mm -89.32 127.58 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.516 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.564 HG13 ' HD3' ' B' ' 44' ' ' ARG . 38.6 t -114.06 104.07 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.287 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -90.58 108.67 19.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.04 -15.98 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.178 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.91 -19.15 73.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.379 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -82.01 -43.82 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.222 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.797 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 62.1 m-20 -133.1 119.83 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.09 -17.4 64.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 109.883 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.3 73.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.48 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 79.7 mtt-85 -71.78 -20.74 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.623 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.7 -38.75 90.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.375 177.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 33.1 mt-10 -62.56 -36.45 82.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.77 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.07 -46.25 90.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.58 -34.67 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 92.1 mttt -61.49 -36.6 80.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.653 177.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 -23.32 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.43 10.9 24.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.469 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 46.7 t -69.62 120.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -105.0 -15.77 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.9 m -145.09 147.77 32.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.651 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.45 -175.01 0.4 Allowed Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.723 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 2.5 Cg_exo 13.82 89.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.467 3.444 . . . . 0.0 115.675 -136.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.404 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -146.05 152.97 40.19 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.244 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 ' HB1' ' B' ' 5' ' ' ALA . 7.2 tt -125.08 126.92 46.11 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.844 ' HB ' HG13 ' B' ' 6' ' ' ILE . 53.5 t -109.07 116.55 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.075 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' B' ' 63' ' ' GLY . 61.0 mt -96.12 107.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.277 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 3' ' ' SER . 7.7 m-20 68.49 -32.5 0.21 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.506 0.722 . . . . 0.0 112.901 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 166.69 -18.78 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 -175.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.39 121.59 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.73 -0.277 . . . . 0.0 110.257 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.5 121.96 31.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 111.71 -176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 68' ' ' ILE . 89.9 m-85 -120.48 103.75 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.909 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -66.53 123.45 20.06 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.404 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 50.7 mm -105.25 98.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 61.1 96.83 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.953 0.783 . . . . 0.0 109.392 -170.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -41.97 105.53 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.159 0.912 . . . . 0.0 111.755 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.24 -93.87 0.4 Allowed Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.688 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 154.93 47.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.66 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.3 123.27 11.91 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.104 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -69.06 -27.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.068 0.461 . . . . 0.0 110.898 -175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.66 -24.82 58.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.62 -24.64 65.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.0 mt -73.53 -3.49 28.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.98 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.199 177.055 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -69.99 134.38 48.27 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 6' ' ' ILE . 59.1 pttt -96.9 147.49 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.63 0.729 . . . . 0.0 112.04 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 61' ' ' ILE . . . -113.99 120.66 41.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.891 173.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HE3' ' A' ' 4' ' ' LYS . 16.1 mt -94.98 114.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.915 0.388 . . . . 0.0 110.304 -175.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 68' ' ' ILE . 44.5 t80 -96.87 100.02 11.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.104 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.68 124.69 34.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.47 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 22.4 p80 -150.24 -179.55 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.844 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.67 18.86 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.94 54.94 18.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.758 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -124.08 151.74 65.93 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -44.03 -44.48 12.22 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.437 2.758 . . . . 0.0 113.624 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.7 -49.14 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.549 0.214 . . . . 0.0 111.537 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 29.2 p -75.48 -30.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.044 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.65 -37.4 77.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.309 175.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -67.05 -40.39 87.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.394 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.91 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 40.1 tt0 -62.92 -33.1 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.608 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -83.92 -39.03 20.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.182 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.0 -70.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.57 -41.39 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.755 0.312 . . . . 0.0 111.305 -173.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -76.98 4.82 9.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.614 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -117.08 -24.54 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.97 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.0 112.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.14 118.88 43.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 24.5 Cg_exo -64.43 -12.81 35.01 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.26 2.64 . . . . 0.0 112.947 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -100.72 4.43 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.156 0.503 . . . . 0.0 110.015 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -117.87 -35.41 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 60.7 m-85 -133.26 135.14 44.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.035 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.2 m -74.25 104.19 4.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.074 0.464 . . . . 0.0 110.937 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.3 110.25 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.156 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 36.9 tt0 -113.02 112.63 24.2 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.43 130.05 47.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -175.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -130.09 130.78 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.681 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.91 120.3 23.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 38' ' ' LEU . 2.3 tm? -91.57 -23.24 19.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.65 0.69 88.21 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.611 -172.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -101.03 -37.86 8.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.226 0.513 . . . . 0.0 111.673 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.52 132.83 55.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.935 0.398 . . . . 0.0 111.577 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.22 -4.39 58.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.784 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -35.86 41.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.002 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -72.78 -16.02 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 177.014 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 74' ' ' ILE . 52.8 mt -63.07 -38.56 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 109.959 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.99 78.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' OE2' ' HG3' ' A' ' 44' ' ' ARG . 41.4 mt-10 -67.73 -36.56 80.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 175.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.17 -44.5 96.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.789 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.18 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -75.32 -29.59 60.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.999 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.18 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.32 29.88 3.55 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.539 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 87.7 t -83.51 126.0 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.775 0.322 . . . . 0.0 110.305 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 74' ' ' ILE . 98.4 mttt -105.77 -37.51 6.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 26.0 p -151.32 157.51 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.142 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 35.0 m -98.57 147.98 33.9 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 1.2 Cg_endo -80.2 133.05 25.84 Favored 'Cis proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.95 -1.271 . . . . 0.0 112.733 3.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.06 31.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.589 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.87 100.58 12.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.725 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.25 97.67 7.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 63' ' ' GLY . 55.1 mt -90.86 106.04 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 71.31 -32.4 0.25 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.821 0.7 . . . . 0.0 112.07 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.34 -20.72 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.03 118.77 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 110.253 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.2 123.39 33.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.36 112.21 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.948 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 55' ' ' SER . 72.5 m80 -82.15 121.2 26.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.562 -177.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD12 ' HE1' ' A' ' 7' ' ' PHE . 48.8 mt -94.4 96.51 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 63.11 -165.37 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -120.21 112.29 18.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.41 -77.55 1.24 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.414 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 132.11 29.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -88.62 145.09 18.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.324 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 45' ' ' ILE . 14.6 tt -66.91 -29.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.03 -40.79 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.517 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.57 -18.74 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -74.29 -26.85 60.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.719 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.691 179.531 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -67.02 142.98 57.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -97.63 145.88 25.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.489 0.661 . . . . 0.0 111.762 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -120.21 116.61 25.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.179 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 35.9 mt -101.86 114.2 40.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -173.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -96.52 122.09 39.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -106.54 133.05 51.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.503 ' HA ' ' HB ' ' B' ' 56' ' ' VAL . 8.0 p80 -154.25 -179.43 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.394 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 25.27 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.666 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.89 59.95 5.22 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.978 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.513 ' O ' HG23 ' B' ' 16' ' ' VAL . 20.0 m -117.17 148.27 42.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -52.29 -35.52 64.41 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.581 2.187 . . . . 0.0 112.157 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.41 -46.97 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.478 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.908 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 25.7 p -77.92 -18.37 56.2 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.469 -175.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 12' ' ' CYS . 95.9 t -60.36 -53.76 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 109.752 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.4 m -64.02 -41.93 97.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.47 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.26 96.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.275 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -63.09 -50.77 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.07 -4.67 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.07 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 -66.13 1.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.89 -50.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 -175.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.68 -0.68 27.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.051 0.453 . . . . 0.0 110.926 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -93.49 -37.81 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.36 70.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.461 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.97 94.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' B' ' 29' ' ' SER . 4.6 p-10 -91.59 156.33 43.16 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.818 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 32.6 Cg_exo -60.08 -16.98 42.66 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.49 2.793 . . . . 0.0 114.305 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' B' ' 27' ' ' ASP . 51.0 m -79.72 -10.78 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 110.435 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -107.32 -51.82 2.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 58.4 m-85 -137.37 138.1 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.745 176.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 22.9 m -73.94 107.82 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.887 0.375 . . . . 0.0 110.478 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.67 124.33 38.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.032 0.444 . . . . 0.0 111.275 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 13.5 tp10 -117.9 111.14 18.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.64 122.79 54.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 52.9 t -119.58 125.15 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.216 0.531 . . . . 0.0 111.176 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -89.81 113.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' B' ' 56' ' ' VAL . 68.7 mt -84.63 -5.99 59.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.821 0.343 . . . . 0.0 111.601 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.44 49.3 2.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.797 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -153.29 -45.77 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.42 126.61 46.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.42 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -72.82 -19.62 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.209 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -68.42 -32.2 72.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 110.049 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.483 ' HD3' ' OE2' ' B' ' 47' ' ' GLU . 69.2 mmt-85 -68.54 -32.87 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.223 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.434 HG23 HD11 ' B' ' 74' ' ' ILE . 73.4 mt -62.48 -41.48 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.121 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.41 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.608 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.483 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 42.7 mt-10 -66.72 -32.18 73.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -62.3 -55.97 22.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.98 -29.78 71.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -63.82 -37.15 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.137 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.56 26.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.79 5.66 10.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.898 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 22.6 t -80.11 98.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.82 -5.19 35.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.54 ' HB3' ' CD2' ' B' ' 67' ' ' HIS . 37.9 t -147.52 144.5 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 6.9 m -76.52 -168.21 0.14 Allowed Pre-proline 0 C--O 1.238 0.494 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.908 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 5.8 Cg_exo 15.22 85.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 123.713 2.942 . . . . 0.0 114.8 -136.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.29 156.32 41.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.504 177.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.7 tt -128.79 126.03 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.034 0.445 . . . . 0.0 110.305 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 54.0 t -97.3 119.05 44.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.76 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -102.1 108.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.71 -48.89 0.66 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.896 0.748 . . . . 0.0 111.799 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.12 -27.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.097 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.63 126.03 33.6 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.805 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.371 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -118.12 116.8 27.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.809 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' B' ' 55' ' ' SER . 70.4 m80 -75.09 125.04 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -112.49 100.57 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 61.89 99.18 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.5 -170.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -44.92 105.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.008 0.818 . . . . 0.0 111.44 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.423 ' HA3' ' HG2' ' B' ' 57' ' ' PRO . . . -80.39 -90.81 0.49 Allowed Glycine 0 N--CA 1.437 -1.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.811 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.55 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.69 133.04 30.02 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.826 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.26 142.08 36.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.886 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.434 HD11 HG23 ' B' ' 45' ' ' ILE . 10.8 tp -60.36 -28.88 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 111.248 -176.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.35 -21.4 53.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.759 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.71 -28.63 63.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.447 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.78 -25.38 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.687 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 87.7 mttt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.647 179.056 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.649 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.2 m -76.32 147.36 38.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.719 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.38 115.26 18.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.082 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.33 110.67 14.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.494 HG12 ' OE1' ' A' ' 34' ' ' GLU . 4.5 mt -96.56 128.67 47.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.887 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -107.49 99.1 8.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' HD21 ' A' ' 38' ' ' LEU . 69.2 m-85 -90.16 123.67 34.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 18.8 p80 -141.79 171.93 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.294 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.35 15.63 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.63 19.68 78.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.734 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 m -78.91 149.17 73.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.68 -27.63 62.01 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 112.348 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.14 -31.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 42.4 m -72.71 -27.92 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.85 -50.59 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.297 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -59.01 -41.42 87.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.361 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.9 tt0 -67.0 -42.52 84.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.62 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -58.95 -56.79 17.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.874 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.28 -58.36 2.4 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -174.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.24 -49.0 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.657 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.16 -14.26 62.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -105.88 1.12 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.62 -29.27 15.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.621 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 25' ' ' ALA . 78.5 mt -66.02 120.84 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.6 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.09 126.13 75.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.126 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.98 -19.67 33.4 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.477 2.785 . . . . 0.0 113.495 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.9 p -72.68 -11.64 60.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.671 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' B' ' 27' ' ' ASP . 63.1 mttm -109.36 -51.98 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' SER . 71.5 m-85 -131.63 149.62 52.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.274 -174.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 m -99.22 109.71 22.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.5 t -84.33 104.48 12.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.945 0.402 . . . . 0.0 110.804 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 6' ' ' ILE . 39.7 mt-10 -88.48 106.65 18.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.365 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mm -78.91 108.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.69 115.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.434 . . . . 0.0 111.436 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -88.39 117.12 27.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.803 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 8' ' ' TYR . 72.4 mt -77.73 -24.21 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 112.02 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.85 39.01 2.17 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.093 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -133.36 -42.03 0.87 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -133.82 129.5 36.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 59.9 mttp -88.95 0.42 56.65 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.77 -31.89 25.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -71.52 -8.93 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.488 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 42' ' ' LYS . 48.6 mm -61.7 -45.54 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.65 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.01 -47.5 86.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.111 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.2 91.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.73 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.74 -42.93 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -69.33 -27.58 65.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.253 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.05 59.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 0.0 111.1 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.17 10.31 39.68 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.59 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.91 114.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.71 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -99.26 -25.22 14.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.818 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -155.11 168.19 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.1 m -117.13 146.37 37.93 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.585 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 79.5 Cg_endo -83.56 146.55 54.71 Favored 'Cis proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.908 -0.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.55 129.68 49.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 26' ' ' ILE . 60.4 tp -102.77 102.98 13.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.158 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.1 t -85.81 97.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 0.0 109.87 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.65 100.72 11.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.829 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 62.04 16.39 8.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.416 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.42 -21.69 6.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.748 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.93 123.84 38.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.747 0.273 . . . . 0.0 110.581 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.18 24.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.02 0.438 . . . . 0.0 111.445 -175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.415 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.8 m-85 -115.91 104.75 11.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.324 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.2 m80 -71.45 146.53 48.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.689 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -132.2 105.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 123.296 0.373 . . . . 0.0 110.106 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 66.16 106.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.08 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.95 100.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.03 -66.6 0.99 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.845 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.41 142.1 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.51 153.81 30.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.204 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.04 -26.04 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.69 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.721 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.17 -31.15 65.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.918 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.47 -35.55 53.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.0 110.555 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.356 -179.774 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 121.204 0.526 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -63.57 166.96 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.244 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' B' ' 32' ' ' THR . 2.3 pttp -87.07 121.97 30.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.462 0.649 . . . . 0.0 111.202 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.45 119.62 34.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.204 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.52 114.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.0 0.429 . . . . 0.0 111.278 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' B' ' 35' ' ' ILE . 53.4 t80 -94.56 98.09 10.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.42 ' CD2' HG21 ' B' ' 53' ' ' VAL . 57.1 m-85 -85.21 118.12 24.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.736 0.303 . . . . 0.0 110.23 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -135.27 -175.88 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.546 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.96 22.6 2.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.9 61.81 2.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.223 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 35.9 m -129.49 156.46 78.57 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.72 -33.57 96.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.617 2.212 . . . . 0.0 111.627 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.21 -39.88 53.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.658 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.775 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 4.5 m -71.12 -30.28 66.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.667 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLN . 41.2 t -72.5 -48.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -64.71 -39.57 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.79 75.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 35.3 tt0 -65.87 -42.83 89.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' B' ' 16' ' ' VAL . 47.6 mm-40 -79.32 -16.75 55.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.722 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 -64.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.821 0.343 . . . . 0.0 111.802 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.18 -48.82 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.26 -11.79 60.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -83.79 -36.19 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.127 0.489 . . . . 0.0 109.88 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' A' ' 26' ' ' ILE . . . -67.84 -36.66 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.859 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -88.96 106.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.635 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.616 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 11.6 t70 -65.46 134.49 95.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.056 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.09 -20.35 71.05 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.971 2.447 . . . . 0.0 112.931 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t -92.35 -15.65 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 51.7 tttp -82.54 -47.7 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.227 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -139.35 147.88 42.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 174.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' B' ' 4' ' ' LYS . 10.8 m -83.72 93.9 8.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.57 123.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.269 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.54 123.33 43.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.662 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' B' ' 7' ' ' PHE . 42.2 mt -99.12 118.14 45.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.993 0.425 . . . . 0.0 110.735 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.531 HG13 ' HD3' ' B' ' 44' ' ' ARG . 92.3 t -112.92 125.02 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.885 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -90.14 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.309 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.637 HD12 HG12 ' B' ' 56' ' ' VAL . 68.7 mt -86.36 -14.5 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 111.305 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.39 -10.16 81.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.332 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -106.11 -60.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.831 0.348 . . . . 0.0 111.319 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.65 135.35 37.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.234 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -88.19 -21.54 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.753 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.06 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.531 ' HD3' HG13 ' B' ' 36' ' ' VAL . 69.7 mtt85 -65.5 -27.0 68.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.971 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.521 . . . . 0.0 109.611 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.23 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.862 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.68 -38.12 80.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.008 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.56 -39.89 92.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.099 0.476 . . . . 0.0 110.713 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.81 -32.1 46.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.29 78.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.577 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.69 39.45 0.71 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.437 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 36.4 t -109.75 122.43 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.514 0.197 . . . . 0.0 110.518 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -101.27 -18.36 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.0 111.238 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.742 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 24.8 m -139.67 141.99 36.96 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.154 -177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.637 HG12 HD12 ' B' ' 38' ' ' LEU . 12.1 m -82.88 -173.35 0.43 Allowed Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.064 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.767 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.45 88.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.437 0 C-N-CA 124.196 3.264 . . . . 0.0 115.437 -136.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.707 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -145.0 162.39 37.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 113.247 -1.797 . . . . 0.0 109.575 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.29 117.11 24.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 0.0 110.741 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 44.9 t -96.57 101.18 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.89 116.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.98 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 64.22 12.39 7.08 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.595 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.51 -21.86 9.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.542 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.85 126.67 37.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 110.53 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.41 117.45 27.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.95 0.405 . . . . 0.0 111.487 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -112.97 110.15 20.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.8 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 60.3 m80 -73.14 134.6 44.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.707 HG13 ' HA ' ' B' ' 58' ' ' ALA . 4.3 mt -92.97 -171.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.662 ' H ' HG22 ' B' ' 68' ' ' ILE . 76.2 m-20 -27.02 111.27 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.552 0.533 . . . . 0.0 110.254 166.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -48.11 101.59 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.319 1.012 . . . . 0.0 112.009 -167.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.19 -87.62 0.5 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.93 -176.27 4.52 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.684 176.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.742 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -109.95 162.27 12.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.141 174.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 tt -72.22 -24.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.4 -28.58 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.559 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.48 -47.43 67.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.031 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.56 -27.85 41.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.329 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.015 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.271 0.557 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -99.55 170.2 8.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.265 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 6' ' ' ILE . 51.2 tptt -72.26 114.66 10.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.88 109.08 11.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.207 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HE3' ' A' ' 4' ' ' LYS . 28.8 mm -97.43 132.15 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.899 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.574 ' HB3' HG12 ' A' ' 35' ' ' ILE . 57.9 t80 -111.77 102.47 10.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.401 ' CD2' HG21 ' A' ' 53' ' ' VAL . 53.3 m-85 -86.67 131.34 34.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.657 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 5.3 p80 -153.68 165.85 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.9 9.75 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.83 33.73 50.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.378 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 158.59 35.94 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.11 -40.65 68.1 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.667 2.244 . . . . 0.0 112.087 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.36 -36.37 72.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.564 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 60.5 m -67.42 -38.91 85.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.76 -45.62 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.286 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 m -61.51 -45.24 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.799 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.89 92.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.43 -59.63 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -69.01 -12.93 62.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -171.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.5 -63.67 1.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.95 -55.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.615 0.245 . . . . 0.0 111.569 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.59 74.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 111.194 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -73.86 -30.95 62.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.693 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.92 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.346 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.43 118.91 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.227 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 5.2 m-20 -69.33 128.07 92.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 15.0 Cg_exo -69.82 -3.5 12.18 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 111.061 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 t -95.52 -6.74 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.34 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -108.69 -50.82 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.747 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -123.59 156.54 35.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.779 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 m -89.72 91.8 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.024 0.44 . . . . 0.0 110.229 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.54 110.26 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HB3' HD13 ' A' ' 6' ' ' ILE . 35.4 tt0 -111.78 107.15 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.537 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 7' ' ' PHE . 66.9 mt -88.74 125.5 41.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.043 -175.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.34 122.39 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -86.88 116.56 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.617 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.52 -5.74 55.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.606 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.07 47.5 3.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.2 m -157.48 -55.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.068 0.461 . . . . 0.0 110.759 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -104.29 131.68 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.639 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.82 -15.02 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.686 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.34 74.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.256 0.551 . . . . 0.0 109.927 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -72.96 -11.04 60.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.838 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.57 -40.55 86.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.12 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.073 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.03 -46.52 87.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.364 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.61 -40.51 92.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.895 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' HE3' ' A' ' 78' ' ' LYS . 39.1 tt0 -64.63 -37.49 87.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.08 -36.45 83.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.583 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.46 -42.44 43.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.573 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.61 21.59 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.43 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 57.9 t -82.99 134.54 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.479 0.18 . . . . 0.0 110.52 -178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 74' ' ' ILE . 95.6 mttt -111.48 -34.11 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.723 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.473 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 15.6 m -135.15 161.1 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.896 0.379 . . . . 0.0 110.984 -174.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.4 m -124.45 145.75 50.02 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.826 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 6.2 Cg_exo -78.03 153.66 93.12 Favored 'Cis proline' 0 CA--C 1.528 0.177 0 C-N-CA 123.755 -1.352 . . . . 0.0 112.859 2.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -138.32 133.72 33.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.415 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -106.32 108.08 19.41 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 43.7 t -89.1 102.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.338 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -97.44 106.54 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.339 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 62.98 17.13 9.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.423 0.63 . . . . 0.0 111.273 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.88 -17.19 17.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.314 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.32 114.25 26.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.755 0.312 . . . . 0.0 110.172 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -84.98 112.41 20.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 111.656 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.22 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.079 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.543 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 69.0 m80 -71.61 139.01 49.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.395 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.515 ' O ' ' HD2' ' A' ' 57' ' ' PRO . 52.7 mt -113.34 92.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.891 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 65.23 -173.76 0.18 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.841 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -127.57 104.59 7.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.88 -56.14 1.17 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 173.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 157.0 46.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.7 135.08 12.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.66 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 54' ' ' LYS . 11.4 tt -66.07 -34.72 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.44 -30.2 69.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.97 -35.09 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.358 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.39 -24.71 24.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.392 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HE3' ' OE2' ' A' ' 49' ' ' GLU . 59.2 tttm . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.046 0.451 . . . . 0.0 111.101 -176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.637 0.256 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.521 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 56.3 p -101.79 -168.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' B' ' 6' ' ' ILE . 73.1 tttt -99.94 120.27 39.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.094 0.473 . . . . 0.0 110.891 -177.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -115.96 121.21 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.664 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.737 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 32.8 mm -95.28 141.06 15.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.664 -176.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.61 ' HD2' HG23 ' B' ' 35' ' ' ILE . 71.0 t80 -126.58 106.74 9.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 59.4 m-85 -92.83 129.27 38.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.876 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.733 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 6.4 p80 -134.49 159.85 39.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.76 0.314 . . . . 0.0 110.552 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' B' ' 12' ' ' CYS . . . -117.03 9.18 13.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.186 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.46 58.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.178 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 34.7 m -94.45 163.83 21.77 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 13.2 Cg_endo -57.19 -30.75 88.39 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.557 2.171 . . . . 0.0 111.737 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.91 -34.67 63.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.691 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.793 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 34.0 m -67.09 -43.27 82.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 43.9 t -56.44 -54.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.168 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.8 m -63.99 -34.78 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.18 94.71 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.502 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.8 mt-10 -63.22 -50.26 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 96.6 mt-30 -59.54 -33.8 71.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.37 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.58 -68.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -65.86 -48.0 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.63 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.19 -10.83 60.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.637 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -25.48 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.843 0.354 . . . . 0.0 110.361 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.32 -33.48 71.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.14 108.73 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.154 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.27 133.9 87.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.851 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.66 -27.52 85.14 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.02 -18.65 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.048 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' B' ' 31' ' ' TYR . 63.9 tttp -91.73 -41.35 10.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.285 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.521 ' HD1' ' H ' ' B' ' 3' ' ' SER . 70.5 m-85 -142.4 143.94 32.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.665 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -76.64 94.1 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.009 0.433 . . . . 0.0 110.071 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 47.2 t -87.58 111.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.706 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.27 108.3 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.57 122.62 47.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.222 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.98 132.48 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -79.89 122.62 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 109.996 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 38' ' ' LEU . 40.4 tp -124.54 18.45 8.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.471 0.653 . . . . 0.0 109.995 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.35 1.92 70.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.973 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -142.64 -22.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.49 116.74 27.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -89.36 -10.65 45.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.848 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.45 58.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.06 -4.84 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.059 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.61 -43.88 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.195 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -66.64 -37.51 84.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.68 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -48.37 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.52 -39.79 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.02 -38.73 87.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.636 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 62.5 mttm -76.6 -15.02 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.17 -4.54 48.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.03 10.4 62.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.689 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 32.4 t -87.48 112.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -109.53 -4.71 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.533 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.689 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 49.6 m -150.05 154.41 38.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.815 ' HB ' ' HD2' ' B' ' 57' ' ' PRO . 0.2 OUTLIER -87.66 -162.95 0.04 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.51 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.815 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 19.9 Cg_exo 5.3 87.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.743 2.962 . . . . 0.0 114.652 -142.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -148.68 153.97 39.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.684 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.77 111.26 23.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.022 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 24.4 t -101.48 96.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -90.83 111.21 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.339 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 55.86 31.62 18.08 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.078 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.21 -14.1 59.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.028 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 111.84 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.858 0.361 . . . . 0.0 110.125 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.88 110.82 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 111.583 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 68' ' ' ILE . 95.0 m-85 -107.52 97.41 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.689 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -71.87 129.69 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mm -93.0 110.95 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 93.2 m-20 64.49 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.7 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -178.16 88.13 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -76.89 -84.55 0.46 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.177 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.77 154.22 47.34 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.963 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.41 143.25 16.52 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.65 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.79 -23.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.402 0.62 . . . . 0.0 109.418 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.674 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.18 -30.13 70.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.98 -1.24 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.306 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.085 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.536 0.208 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -103.83 169.94 8.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 173.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.763 ' HE2' HG12 ' A' ' 6' ' ' ILE . 87.1 tttt -87.6 133.03 33.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 112.024 -173.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -122.47 115.96 23.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.352 173.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.763 HG12 ' HE2' ' A' ' 4' ' ' LYS . 3.9 mt -104.77 113.81 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 110.866 -173.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -97.84 110.56 23.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.829 0.347 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -100.09 127.56 46.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 33.1 p80 -152.24 176.24 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.344 173.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.95 21.51 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.245 . . . . 0.0 111.577 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.45 77.06 0.58 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.742 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -137.46 159.89 67.54 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.32 -42.79 46.57 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.837 2.358 . . . . 0.0 112.27 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -41.58 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.729 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 37.5 m -61.59 -39.83 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.495 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.25 -47.35 92.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 -41.35 97.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.25 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.1 tt0 -72.87 -43.24 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.198 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -72.77 -33.64 66.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.54 -66.56 0.89 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.24 -42.68 81.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.612 0.244 . . . . 0.0 111.424 -173.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -73.01 -7.7 52.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.278 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -23.7 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.997 0.427 . . . . 0.0 110.096 172.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.63 76.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.09 91.32 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.19 127.21 92.66 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.696 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.75 -17.79 60.96 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.987 2.458 . . . . 0.0 112.636 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -86.87 -14.93 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.244 0.545 . . . . 0.0 109.992 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -103.5 -37.36 7.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.856 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.566 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 90.7 m-85 -139.88 147.21 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.057 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -83.38 95.8 8.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -84.0 119.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.644 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.86 113.43 20.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.67 119.07 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.747 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.34 125.45 70.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.045 0.45 . . . . 0.0 110.581 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -92.9 123.74 36.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.692 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.2 mt -88.24 -3.2 58.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.529 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.67 -29.46 16.07 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.642 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -65.5 -45.54 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.25 119.95 23.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.505 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 65.8 mttp -69.56 -24.93 63.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.187 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.65 84.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -75.39 -12.16 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.153 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 42' ' ' LYS . 72.2 mt -67.07 -43.18 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.65 85.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.246 176.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.65 95.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.31 -52.75 60.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.824 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -75.0 -10.65 59.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.276 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.86 -12.27 48.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.79 16.11 14.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.116 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.97 116.06 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.256 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -95.53 -32.63 12.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -153.04 175.25 13.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.483 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.94 147.17 64.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.623 0.249 . . . . 0.0 110.533 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HG3' ' SG ' ' A' ' 15' ' ' CYS . 5.6 Cg_exo -77.85 150.25 89.35 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 123.545 -1.44 . . . . 0.0 112.436 -0.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.34 117.56 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.95 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 61' ' ' ILE . 2.1 tt -100.46 102.12 13.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 47.1 t -79.01 95.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.956 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.475 HG12 HD22 ' A' ' 59' ' ' LEU . 69.2 mt -90.7 110.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.36 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.64 -2.94 2.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.46 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.08 -29.57 2.62 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.394 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.34 128.33 36.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.662 0.268 . . . . 0.0 110.627 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.51 119.09 22.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.069 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB3' HG23 ' B' ' 68' ' ' ILE . 81.6 m-85 -111.1 107.44 16.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.292 0.567 . . . . 0.0 110.467 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 52.0 m80 -81.01 109.2 15.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.624 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -89.85 106.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.667 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.8 96.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.896 0.747 . . . . 0.0 111.093 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.65 104.82 0.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.083 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.57 -52.07 0.88 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.756 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.65 136.88 34.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.644 0.259 . . . . 0.0 110.473 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.11 165.26 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.088 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 tt -75.2 -8.77 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.366 0.603 . . . . 0.0 110.106 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.6 -42.8 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.771 172.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.9 -14.46 62.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.249 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.4 tp -85.75 -6.69 59.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.314 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.366 177.792 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -94.49 178.53 5.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -87.76 126.69 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -119.78 97.28 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.3 pt -105.39 115.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.975 0.417 . . . . 0.0 112.013 -174.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' B' ' 59' ' ' LEU . 38.7 t80 -90.79 133.04 35.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.403 ' HE2' HD12 ' B' ' 6' ' ' ILE . 73.8 m-85 -122.8 123.02 40.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 -178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.717 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 31.0 p80 -146.15 168.18 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.12 25.47 10.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.13 29.77 60.0 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.729 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' B' ' 16' ' ' VAL . 4.1 m -85.05 145.23 42.84 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 -35.74 84.45 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.465 2.11 . . . . 0.0 111.713 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.35 -45.19 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.636 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 5.9 p -87.21 -9.02 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 12' ' ' CYS . 74.2 t -64.66 -51.46 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -64.09 -34.89 79.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.32 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 29.7 tt0 -59.27 -52.31 66.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 177.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -58.31 -41.35 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.089 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.72 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -71.46 -38.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -75.41 -12.52 60.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.978 0.418 . . . . 0.0 111.204 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.21 -24.28 15.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 0.0 109.817 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.33 -46.22 56.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.75 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.6 mt -89.04 112.8 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.636 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.26 151.9 40.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.074 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 31.4 Cg_exo -59.96 -21.04 63.08 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.585 2.856 . . . . 0.0 113.465 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.2 m -74.85 -44.63 48.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.229 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -71.27 -45.12 63.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.17 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 72.5 m-85 -144.07 135.8 26.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 32.4 m -75.26 96.42 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.185 0.517 . . . . 0.0 110.516 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 36.6 t -88.43 146.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.285 -175.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -145.22 130.76 18.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.611 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mm -100.4 121.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.821 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -119.91 128.74 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.454 . . . . 0.0 110.608 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -96.61 117.23 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.367 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -96.39 9.82 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.55 21.32 29.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.507 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.6 m -147.97 -71.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.668 -0.313 . . . . 0.0 110.692 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -73.86 116.83 14.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.192 0.52 . . . . 0.0 110.513 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.8 mttp -89.62 -14.16 35.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.49 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.229 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.531 HH21 ' CD ' ' B' ' 47' ' ' GLU . 0.6 OUTLIER -62.49 -29.06 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.787 178.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' B' ' 42' ' ' LYS . 72.1 mt -62.55 -42.44 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -67.51 -28.38 67.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.207 0.527 . . . . 0.0 110.896 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.531 ' CD ' HH21 ' B' ' 44' ' ' ARG . 34.8 mt-10 -80.22 -29.68 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.813 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.36 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.534 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 45.7 mt-10 -51.19 -47.12 62.29 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.645 0.736 . . . . 0.0 109.95 173.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -82.97 -11.18 58.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.463 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.89 31.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 0.0 110.832 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.74 8.92 27.53 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.732 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.98 105.54 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -93.79 -28.86 15.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.762 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.622 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.3 m -146.72 157.96 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.777 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.643 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.7 m -84.69 -172.29 0.35 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.603 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.643 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.1 Cg_exo 15.27 84.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.106 3.204 . . . . 0.0 115.375 -137.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -158.59 175.84 13.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 113.532 -1.667 . . . . 0.0 109.644 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.568 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 2.3 pt? -150.93 141.58 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.114 0.483 . . . . 0.0 111.081 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 6' ' ' ILE . 29.3 t -95.4 101.22 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.423 HG13 ' HG ' ' B' ' 59' ' ' LEU . 68.3 mt -96.7 115.96 37.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.188 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 73.26 -15.56 0.53 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.595 0.559 . . . . 0.0 111.489 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 0.77 3.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.168 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.0 123.94 48.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.628 0.251 . . . . 0.0 110.341 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 60' ' ' VAL . . . -88.31 105.38 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.927 0.394 . . . . 0.0 111.28 -177.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.413 ' O ' HD23 ' B' ' 59' ' ' LEU . 85.6 m-85 -97.22 132.58 42.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.622 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 69.3 m80 -96.74 120.43 37.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 66' ' ' PHE . 43.4 mt -109.41 109.96 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.646 -173.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 63.18 100.48 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 124.216 0.947 . . . . 0.0 109.174 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -43.57 102.22 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.224 0.953 . . . . 0.0 111.608 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.16 -100.14 0.53 Allowed Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.87 151.43 45.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.056 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.25 147.93 46.63 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.869 -1.158 . . . . 0.0 110.482 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 18.6 tt -60.11 -33.11 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.398 0.599 . . . . 0.0 110.681 -176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.873 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 2.7 m-20 -79.4 1.49 25.14 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -82.99 -23.05 33.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.51 -40.72 5.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.15 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.873 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 51.0 tttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.242 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -75.23 162.92 28.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -89.26 120.14 30.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.068 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.506 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -116.28 113.21 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.208 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.77 124.8 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.56 0.219 . . . . 0.0 110.745 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -109.27 112.36 24.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.876 0.37 . . . . 0.0 110.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.79 133.16 45.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.615 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 21.2 p80 -158.41 171.12 20.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 172.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.94 12.57 16.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 3.34 84.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.104 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.85 151.29 89.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.502 0.151 . . . . 0.0 110.643 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.05 -40.78 75.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.941 2.427 . . . . 0.0 112.028 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.25 -37.51 63.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.52 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.907 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 47.4 m -73.4 -39.2 65.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.881 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -57.35 -44.28 83.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.482 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 m -61.43 -48.12 82.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.54 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.63 -60.58 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -76.62 -16.74 59.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.8 -57.51 2.72 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.519 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 68' ' ' ILE . 47.9 t -70.21 -39.56 77.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.44 -3.96 30.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.502 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.21 -21.69 12.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 110.096 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.57 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.786 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.87 110.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.14 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.31 131.2 94.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.887 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.57 -27.0 69.45 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.889 2.393 . . . . 0.0 112.553 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -79.59 -16.05 56.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.582 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -87.02 -57.94 2.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 81.7 m-85 -132.07 127.36 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.722 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 m -77.09 107.64 9.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 111.394 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.64 116.49 29.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.78 122.2 46.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.598 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.84 130.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.959 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -124.13 114.32 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.298 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -89.87 117.78 28.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HB3' HG12 ' A' ' 45' ' ' ILE . 90.4 mt -76.5 -7.01 54.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.49 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.56 -8.69 73.44 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.737 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.6 m -84.03 -33.21 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.32 135.68 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.276 -173.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 97.3 mttt -80.74 -21.15 41.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.113 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.54 -34.17 69.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.105 0.479 . . . . 0.0 110.246 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -73.42 -19.28 61.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -67.43 -41.3 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 172.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -64.71 -35.04 79.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.237 176.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.72 -51.07 70.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.153 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.11 -44.04 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.95 -46.66 84.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.007 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 63.7 mttp -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.22 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.11 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.306 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.59 21.4 1.03 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.694 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -86.99 106.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -105.35 -8.82 17.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.892 -176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m -148.02 158.24 43.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 57' ' ' PRO . 26.2 m -114.14 137.52 22.5 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.472 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.907 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.2 Cg_endo -91.89 168.93 24.99 Favored 'Cis proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.411 -1.495 . . . . 0.0 113.061 -0.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -146.26 145.3 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 HD21 ' HB1' ' A' ' 5' ' ' ALA . 6.2 tt -123.46 121.41 35.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.206 0.527 . . . . 0.0 109.633 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 40.5 t -90.22 106.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.281 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.81 93.14 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 51.38 46.63 26.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.53 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 60' ' ' VAL . . . 111.78 -37.7 3.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.826 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.66 111.65 20.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 110.766 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -90.05 108.97 20.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.397 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.39 123.29 48.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.225 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 66.1 m80 -74.44 118.75 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 22' ' ' VAL . 54.5 mt -97.19 104.19 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.81 0.338 . . . . 0.0 110.766 -176.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 t30 69.94 93.23 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.303 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.55 114.23 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.73 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.27 -79.07 1.17 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.973 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.32 154.53 47.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.548 0.214 . . . . 0.0 110.99 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.88 146.49 35.23 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -69.45 -26.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.965 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.647 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 47.7 m-20 -78.1 -10.24 59.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.371 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.58 -29.02 59.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.472 0.653 . . . . 0.0 109.486 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.2 -4.19 56.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.95 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.647 ' HG2' ' HA ' ' A' ' 75' ' ' ASP . 35.2 mmtp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.021 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.679 ' HA ' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -107.39 167.87 9.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.245 0.545 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.35 121.72 26.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -120.26 108.3 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -99.68 134.9 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.553 ' HD1' HG23 ' B' ' 35' ' ' ILE . 55.3 t80 -118.62 105.27 11.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.217 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.688 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 72.3 m-85 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.292 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.543 ' HB2' ' CB ' ' B' ' 15' ' ' CYS . 8.5 p80 -149.1 157.7 43.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.843 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.02 -53.23 2.64 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.18 3.22 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.396 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.619 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 89.6 m -148.52 -63.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 35.8 Cg_exo -56.97 -52.53 6.53 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.831 1.687 . . . . 0.0 113.263 -168.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' B' ' 71' ' ' GLY . 65.4 t -64.61 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.953 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' B' ' 9' ' ' HIS . 5.3 p -93.37 -41.48 9.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' B' ' 12' ' ' CYS . 75.9 t -60.66 -37.98 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 117.976 0.353 . . . . 0.0 111.673 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.9 m -61.25 -45.29 95.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -36.96 78.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.95 -57.07 13.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.533 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.75 -21.27 62.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.828 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 -57.67 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.134 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 59' ' ' LEU . 42.6 t -71.21 -39.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.759 -173.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.6 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.773 0.32 . . . . 0.0 111.475 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -104.98 -9.79 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.557 . . . . 0.0 110.261 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -87.4 -32.49 19.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.203 175.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.97 130.78 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.066 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.64 128.75 94.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.628 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.4 -21.53 71.35 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.63 2.22 . . . . 0.0 111.819 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -77.93 -35.44 50.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.134 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' B' ' 2' ' ' ALA . 53.1 tttp -72.97 -48.81 33.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.722 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -131.72 130.02 41.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.81 98.99 4.3 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.92 0.39 . . . . 0.0 110.392 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 44.4 t -82.37 108.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.061 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -104.79 106.62 17.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.906 177.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.553 HG23 ' HD1' ' B' ' 7' ' ' PHE . 37.2 mt -91.57 130.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.38 120.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -90.83 116.74 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.788 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.511 ' CD1' HG11 ' B' ' 56' ' ' VAL . 80.8 mt -80.51 -23.48 40.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.68 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.49 70.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.916 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.7 m -77.29 -43.91 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.66 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' B' ' 43' ' ' ALA . 28.7 t70 -134.63 115.04 13.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.69 -9.98 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.064 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' B' ' 41' ' ' ASP . . . -68.31 -27.03 65.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.311 0.577 . . . . 0.0 109.861 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -72.56 -20.62 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.403 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.81 -34.8 79.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.27 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.55 -50.16 73.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.53 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.28 90.53 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.5 -46.02 91.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 96.0 mttt -64.82 -38.0 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.63 -32.57 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.303 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.02 9.26 10.87 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.681 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.62 104.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.403 ' O ' HG12 ' B' ' 74' ' ' ILE . 8.4 mtmp? -87.78 -43.93 11.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.494 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.638 ' O ' ' HD2' ' B' ' 67' ' ' HIS . 22.1 m -103.48 111.31 23.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.759 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 0.0 OUTLIER -76.2 -154.04 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.033 -177.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.759 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.0 OUTLIER 11.38 91.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.664 2.243 . . . . 0.0 113.882 -136.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -146.75 162.89 37.61 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.785 -172.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 68' ' ' ILE . 61.6 tp -114.73 116.94 29.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.394 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 40.1 t -95.38 99.77 9.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.954 0.407 . . . . 0.0 110.46 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.47 92.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.88 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.41 75.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.071 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.08 -31.05 3.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.476 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.27 111.74 23.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.999 0.4 . . . . 0.0 110.897 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.99 107.22 19.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.007 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -94.49 106.15 18.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.947 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.638 ' HD2' ' O ' ' B' ' 55' ' ' SER . 50.6 m80 -63.64 111.39 2.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.574 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' B' ' 59' ' ' LEU . 60.0 mt -80.75 100.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.48 HD22 HG22 ' B' ' 68' ' ' ILE . 19.6 m-80 58.69 -150.71 0.43 Allowed 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -110.25 80.62 1.33 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 165.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -65.09 -66.15 2.59 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.65 -0.785 . . . . 0.0 111.222 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.717 ' HB3' HG23 ' B' ' 56' ' ' VAL . . . -139.47 177.41 7.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 172.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.78 141.4 12.38 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.727 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' LYS . 46.1 mm -59.37 -40.55 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.32 -35.07 71.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.774 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.27 -35.47 25.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.035 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -72.64 -24.27 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' B' ' 78' ' ' LYS . 3.0 mmpt? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.004 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -93.22 162.75 13.89 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 32' ' ' THR . 64.8 pttt -90.59 140.68 29.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.616 0.722 . . . . 0.0 111.986 -173.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.46 123.61 45.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.93 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.746 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 50.6 mm -95.35 110.99 25.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.205 -173.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HD2' HG23 ' A' ' 35' ' ' ILE . 55.2 t80 -87.42 93.29 9.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.645 ' CE1' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -97.17 124.02 41.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.624 -173.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 12.3 p80 -148.38 177.47 9.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.791 0.329 . . . . 0.0 110.839 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.35 17.47 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.28 5.71 61.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.9 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -63.49 129.75 93.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.81 -25.01 19.85 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 123.551 2.834 . . . . 0.0 113.953 -172.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' HD3' ' A' ' 57' ' ' PRO . 29.3 m -69.13 -14.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.48 -17.26 32.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.635 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.06 -55.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -69.67 -35.57 75.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.34 79.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 32.8 tt0 -68.72 -38.66 80.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.262 177.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -78.56 -8.18 58.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.622 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.06 -66.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.73 0.3 . . . . 0.0 111.642 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.7 -48.31 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.68 -8.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.794 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -88.2 -33.36 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.483 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -64.6 -51.44 62.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.519 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.9 mt -88.17 109.65 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.14 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB2' ' A' ' 29' ' ' SER . 4.6 p-10 -94.39 155.87 39.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 20.1 Cg_exo -67.23 -4.84 12.43 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.271 2.648 . . . . 0.0 114.008 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.425 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 39.2 m -82.21 -38.08 25.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.451 . . . . 0.0 110.12 176.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -79.56 -49.0 12.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 72.4 m-85 -133.63 151.93 51.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' ' CB ' ' A' ' 4' ' ' LYS . 2.5 m -75.48 89.5 2.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.925 0.393 . . . . 0.0 110.01 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.73 102.69 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.014 0.435 . . . . 0.0 110.701 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -107.79 117.62 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.416 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.531 HG23 ' HD2' ' A' ' 7' ' ' PHE . 63.7 mt -92.05 123.51 44.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.915 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.08 139.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.504 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -113.57 123.71 50.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.645 ' HG ' ' CE1' ' A' ' 8' ' ' TYR . 18.5 mt -82.38 -27.87 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 4.28 21.45 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.738 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 m -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.656 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -153.29 106.52 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.621 ' HA ' HG12 ' A' ' 45' ' ' ILE . 53.8 mtmt -89.25 2.89 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.296 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 -29.06 65.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.3 mtm105 -85.15 6.44 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.074 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.621 HG12 ' HA ' ' A' ' 42' ' ' LYS . 34.9 mm -64.45 -42.88 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 173.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . . . -67.14 -30.42 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.418 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.662 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.5 -35.52 81.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.419 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' OE1' ' HA ' ' A' ' 46' ' ' ALA . 40.6 mt-10 -59.27 -38.78 80.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.215 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -64.8 -45.5 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.6 -18.76 62.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.02 25.68 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.898 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 61.9 t -80.16 106.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.069 0.462 . . . . 0.0 110.035 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -96.4 -22.69 17.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.465 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 51.1 m -152.14 160.24 43.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.291 178.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 24.2 m -120.12 144.41 37.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.351 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 90.7 Cg_endo -80.95 155.99 83.96 Favored 'Cis proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.284 -1.548 . . . . 0.0 113.047 2.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -139.44 131.86 28.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.978 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.0 tp -96.78 102.91 14.78 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 36.3 t -85.25 96.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.337 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.5 mt -93.21 102.21 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.312 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 65.62 2.82 2.19 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.561 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.64 -30.69 2.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.459 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 120.48 26.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.689 0.28 . . . . 0.0 110.507 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -91.03 110.64 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.938 0.399 . . . . 0.0 110.977 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' B' ' 68' ' ' ILE . 98.9 m-85 -99.67 106.74 18.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.019 176.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HD2' ' O ' ' A' ' 55' ' ' SER . 51.1 m80 -69.99 137.52 51.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.597 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 54.6 mt -108.41 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.678 HD21 ' HD1' ' B' ' 66' ' ' PHE . 89.1 m-20 67.17 -175.59 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.803 -178.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.91 105.71 15.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.14 -79.36 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.933 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.19 119.85 14.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.62 149.67 45.41 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.642 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.0 -27.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 110.919 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.19 -37.79 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 111.518 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -78.03 -15.57 58.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.84 -28.88 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.311 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 -178.247 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 31' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 40.9 m -76.15 138.06 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -87.06 108.96 19.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 111.445 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.45 105.03 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.701 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 45.8 mm -95.3 123.29 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.513 ' HD2' HG23 ' B' ' 35' ' ' ILE . 81.8 t80 -104.09 104.42 14.36 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.47 127.28 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.242 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . 0.874 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 12.6 p80 -141.5 -179.97 6.46 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.707 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.74 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.523 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -15.72 52.42 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.181 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.44 149.48 28.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 122.574 0.35 . . . . 0.0 111.285 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.54 -25.65 50.59 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.887 2.391 . . . . 0.0 112.884 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.98 -33.62 53.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.5 m -63.58 -42.71 98.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.906 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.65 -48.59 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -60.77 -40.29 91.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.983 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.92 72.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.48 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 30.3 tt0 -66.68 -49.4 66.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -67.26 -28.69 68.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.72 -71.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.63 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.7 t -66.91 -52.07 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.678 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.74 -5.03 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.83 -175.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -108.67 -12.68 14.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.45 0.643 . . . . 0.0 110.031 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.68 -27.5 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.513 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.36 137.39 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.633 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 10.5 t70 -80.07 120.2 78.96 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -24.31 79.16 Favored 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.185 2.59 . . . . 0.0 113.294 -177.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.8 m -94.07 -15.35 24.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.21 0.528 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 84.2 tttt -86.53 -46.06 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.733 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 72.1 m-85 -135.17 137.09 42.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.201 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -78.38 105.35 9.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.76 137.18 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.649 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HB3' HD13 ' B' ' 6' ' ' ILE . 36.2 tt0 -138.87 121.99 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' B' ' 7' ' ' PHE . 67.1 mt -95.36 125.41 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.486 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.69 115.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.931 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.499 ' HD2' HG23 ' B' ' 40' ' ' THR . 37.6 t60 -89.23 112.45 23.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.818 178.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.522 HD12 ' CG1' ' B' ' 56' ' ' VAL . 58.9 mt -85.55 2.25 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.59 73.32 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.065 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.499 HG23 ' HD2' ' B' ' 37' ' ' HIS . 1.7 p -83.46 -75.13 0.34 Allowed 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.069 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' B' ' 44' ' ' ARG . 2.2 m-20 -85.16 105.17 15.67 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.718 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.436 ' HG3' HD12 ' B' ' 45' ' ' ILE . 86.0 tttt -65.78 -24.09 66.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 0.0 109.98 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -26.66 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.38 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' B' ' 41' ' ' ASP . 82.1 mmt-85 -71.75 -26.1 62.32 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' B' ' 42' ' ' LYS . 73.9 mt -58.64 -42.94 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.08 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.821 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.12 -36.97 80.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.99 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.265 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.11 -39.71 94.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.549 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.85 -35.31 80.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.717 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.74 66.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.324 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.79 18.03 5.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.271 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.07 106.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' B' ' 67' ' ' HIS . 46.9 mttm -88.12 -22.92 23.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.9 m -151.71 150.58 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.551 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 5.6 m -84.88 -163.34 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.532 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.692 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.874 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.0 OUTLIER 11.18 91.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.625 2.883 . . . . 0.0 114.395 -135.233 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.93 163.91 37.58 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.113 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.721 ' HB2' HD11 ' B' ' 68' ' ' ILE . 55.5 tp -118.59 119.53 34.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.077 0.465 . . . . 0.0 110.517 -178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.701 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 59.9 t -102.75 109.5 26.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.406 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.54 96.16 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 12.8 t70 59.11 24.6 12.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.488 173.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.1 -31.99 3.54 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.858 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 111.76 20.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.38 . . . . 0.0 110.925 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.27 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.752 -175.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.678 ' HD1' HD21 ' A' ' 69' ' ' ASN . 89.8 m-85 -113.24 128.49 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.92 176.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' B' ' 54' ' ' LYS . 35.7 m80 -78.15 135.7 37.7 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.072 -175.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.721 HD11 ' HB2' ' B' ' 59' ' ' LEU . 63.1 mt -103.65 101.86 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 61.05 -159.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -172.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -106.87 88.85 2.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -68.39 -90.18 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 177.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 142.79 36.44 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.884 172.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.93 137.15 25.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.1 -1.048 . . . . 0.0 111.309 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 tt -68.55 -24.28 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.516 0.674 . . . . 0.0 109.903 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.55 -27.96 51.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.162 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.52 -32.42 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.36 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.42 -35.96 72.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.269 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.518 175.86 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.694 0.283 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.51 174.95 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.975 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -76.58 163.47 26.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.708 0.289 . . . . 0.0 110.353 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD3' HD11 ' A' ' 6' ' ' ILE . 24.1 ttmm -106.36 126.03 51.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.105 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.66 100.21 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.857 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.453 HD11 ' HD3' ' A' ' 4' ' ' LYS . 15.4 mt -95.35 122.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.151 -176.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' HB3' HG12 ' A' ' 35' ' ' ILE . 41.7 t80 -107.08 103.37 12.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.789 0.328 . . . . 0.0 110.668 -174.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.404 ' CD1' HG21 ' A' ' 53' ' ' VAL . 63.5 m-85 -94.66 130.21 41.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 17.0 p80 -160.17 159.37 31.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 173.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.82 13.64 34.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.55 13.92 77.22 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 29.4 m -67.14 152.14 96.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.85 -46.76 28.66 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.849 2.366 . . . . 0.0 112.403 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -62.32 -35.02 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.732 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 59.2 m -67.91 -41.45 82.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.438 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.3 -39.46 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -60.65 -44.67 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.756 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.55 -38.52 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.17 -50.92 64.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 0.0 110.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.08 -36.58 84.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.749 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.24 -68.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.729 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.73 -50.48 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.813 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.8 -19.8 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 111.763 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.75 -17.35 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.357 . . . . 0.0 110.805 176.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.2 -21.68 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -79.85 129.44 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.933 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.49 133.92 33.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.331 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 21.7 Cg_exo -66.25 -5.03 11.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.046 2.498 . . . . 0.0 112.499 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -72.8 -47.87 42.89 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.209 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -89.1 -43.87 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 61.2 m-85 -126.42 122.5 35.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 111.444 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.9 m -80.32 106.15 12.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.589 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -80.88 107.41 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.923 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' OE2' ' HG3' ' A' ' 4' ' ' LYS . 36.1 mt-10 -104.19 95.43 5.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.02 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 HG12 ' HB3' ' A' ' 7' ' ' PHE . 69.4 mt -82.36 127.71 39.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.001 0.429 . . . . 0.0 110.776 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.88 113.74 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.115 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -83.73 119.37 24.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.52 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -101.57 10.43 40.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.05 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.61 25.02 25.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.282 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.66 -51.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.101 0.477 . . . . 0.0 110.051 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' CG ' ' HG3' ' A' ' 44' ' ' ARG . 12.8 t0 -84.61 108.51 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.88 -4.41 58.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.086 0.47 . . . . 0.0 111.297 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.16 -30.23 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.238 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' CG ' ' A' ' 41' ' ' ASP . 57.4 mtt180 -74.1 -11.91 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.058 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 67.7 mt -60.43 -39.53 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.28 70.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.864 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.29 -43.11 61.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.914 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.88 -43.02 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.425 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 41.6 mt-10 -51.29 -45.47 62.17 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.419 0.628 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -84.99 -25.68 27.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.207 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.46 -23.48 63.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.7 5.55 27.49 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.85 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 54.3 t -82.03 102.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.188 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -109.27 -5.85 15.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.263 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.601 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.6 m -151.92 167.43 28.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.755 174.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.01 141.67 42.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.821 0.343 . . . . 0.0 110.512 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.732 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.0 Cg_endo -85.03 148.83 49.46 Favored 'Cis proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.098 -1.626 . . . . 0.0 113.068 1.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.71 126.8 47.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.964 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -100.68 101.42 12.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.065 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.3 t -84.2 102.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -110.92 115.88 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.962 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.24 25.49 15.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.006 0.432 . . . . 0.0 111.244 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.23 -19.93 52.06 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.3 112.47 21.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -86.47 103.46 15.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.65 104.95 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.881 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -76.91 95.33 4.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.495 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -88.16 111.53 22.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.984 -174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 66.19 102.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.795 0.684 . . . . 0.0 111.124 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -71.62 101.69 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.894 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.6 -55.51 1.15 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.36 154.4 47.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -99.08 171.75 24.86 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.8 tt -69.62 -24.45 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -30.85 71.0 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.113 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -71.03 -23.18 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.21 -18.96 22.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.401 0.62 . . . . 0.0 109.812 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -90.77 88.62 7.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.84 -75.12 0.97 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.493 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.874 177.665 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.591 0.234 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.88 40.23 1.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.712 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.7 152.18 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -89.55 145.75 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.384 0.611 . . . . 0.0 111.654 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.05 119.61 39.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.417 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.91 109.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.817 0.341 . . . . 0.0 110.489 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' B' ' 68' ' ' ILE . 87.8 t80 -100.46 111.98 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.442 ' CD1' HG21 ' B' ' 53' ' ' VAL . 54.6 m-85 -94.95 131.59 40.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.097 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.762 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 7.6 p80 -142.82 173.52 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.349 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.3 17.78 3.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.425 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.42 67.51 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.642 -0.789 . . . . 0.0 113.061 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 19.1 m -59.02 153.55 44.22 Favored Pre-proline 0 C--N 1.328 -0.368 0 C-N-CA 122.343 0.257 . . . . 0.0 110.83 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.71 -38.02 65.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.065 2.51 . . . . 0.0 113.029 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.06 -28.49 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.383 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 14.3 m -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.065 0.46 . . . . 0.0 109.977 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 21.9 t -62.77 -48.98 85.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.532 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -57.43 -47.01 82.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.85 91.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 28.1 tt0 -67.58 -40.19 84.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.883 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 25.8 mt-30 -65.34 -53.93 36.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.279 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.69 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.65 -43.63 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.848 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.1 -10.0 59.32 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -102.42 -24.12 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.724 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.11 73.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.456 0.646 . . . . 0.0 109.724 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.4 mt -102.58 82.35 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.588 ' OD1' ' HE2' ' B' ' 30' ' ' LYS . 5.9 p-10 -78.4 153.01 79.0 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.119 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 39.4 Cg_exo -62.41 -9.98 17.32 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.79 2.993 . . . . 0.0 114.358 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.49 ' HB3' ' OD2' ' B' ' 27' ' ' ASP . 22.9 t -71.43 -24.46 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.526 0.679 . . . . 0.0 109.254 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.588 ' HE2' ' OD1' ' B' ' 27' ' ' ASP . 45.7 mtmt -102.32 -55.41 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.562 175.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 92.1 m-85 -137.0 120.97 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.866 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.5 m -68.59 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.553 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.61 119.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.6 110.65 22.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.38 111.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.913 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.33 113.16 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.469 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -100.33 111.18 23.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.5 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.83 -13.27 61.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.096 0.474 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.49 -26.24 74.71 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.556 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 27.0 m -86.22 -49.48 7.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.598 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' B' ' 44' ' ' ARG . 28.5 t70 -117.05 109.5 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.338 -177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -86.3 -24.49 25.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -173.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.0 3.78 7.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.002 0.43 . . . . 0.0 111.143 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.514 ' HB2' ' OD2' ' B' ' 41' ' ' ASP . 3.4 ttm180 -92.44 -0.53 57.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 72.9 mt -58.36 -42.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 175.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.81 73.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.266 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.57 -45.81 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.94 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -56.69 -43.78 80.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 53.3 mt-10 -53.45 -51.92 61.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -72.07 -22.61 61.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.431 -175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.25 -23.0 54.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.584 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.77 7.78 33.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.75 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 48.7 t -81.1 105.0 10.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.552 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.16 -17.06 24.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -151.22 151.18 31.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.645 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.2 m -74.52 -167.74 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.762 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 9.8 Cg_exo 11.14 84.48 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.442 0 C-N-CA 123.79 2.993 . . . . 0.0 114.581 -138.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.42 155.09 34.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.112 178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 HD11 ' B' ' 68' ' ' ILE . 2.4 pt? -130.19 137.53 50.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.198 0.523 . . . . 0.0 111.214 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.9 t -100.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.254 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -104.79 111.29 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.595 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.95 8.84 3.37 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.146 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.56 -25.64 5.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.101 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.69 120.87 28.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.746 0.308 . . . . 0.0 110.624 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.51 124.27 34.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.311 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -117.89 123.03 44.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.336 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 70.5 m80 -87.77 120.55 29.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.364 -177.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.526 HD11 HD22 ' B' ' 59' ' ' LEU . 56.0 mt -86.57 97.91 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t30 67.15 12.67 9.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.909 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 58.23 84.72 0.1 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.175 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.2 -87.53 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.119 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.66 137.09 34.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.63 140.03 48.21 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.389 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.88 -27.74 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.081 0.467 . . . . 0.0 110.572 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 15.7 t70 -84.34 -3.65 58.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.71 -25.86 37.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.193 0.52 . . . . 0.0 110.068 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.11 -3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.857 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 29.5 tttm -120.52 146.13 46.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.758 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.36 -121.13 3.37 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 172.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.841 -0.599 . . . . 0.0 109.675 175.731 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.852 0.358 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -134.75 105.82 6.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.659 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.485 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 15.2 m -78.44 -171.57 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 32' ' ' THR . 77.0 tttt -115.22 150.48 36.07 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.383 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -139.14 111.27 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.869 0.366 . . . . 0.0 110.488 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.666 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 42.7 mm -97.07 122.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.107 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' ILE . 54.7 t80 -107.23 102.0 11.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 61.7 m-85 -92.15 131.62 37.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.341 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.727 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.9 p80 -157.25 167.82 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.669 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 12.03 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.713 0.292 . . . . 0.0 111.745 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.13 6.48 84.58 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.055 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.9 m -72.06 151.24 92.66 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.602 0.201 . . . . 0.0 110.552 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.17 -41.25 73.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.62 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.206 0.527 . . . . 0.0 110.534 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.687 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 56.9 m -70.33 -42.06 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.16 -37.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -60.92 -46.78 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.604 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.02 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.4 tt0 -64.77 -55.3 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.72 -8.09 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -62.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.587 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.79 -44.29 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.144 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -78.32 0.2 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.701 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -97.91 -27.04 14.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -76.8 -32.41 57.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.528 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.84 128.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.884 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -85.61 132.27 45.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.54 -19.58 68.16 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.964 2.443 . . . . 0.0 113.08 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -98.7 7.35 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.18 0.514 . . . . 0.0 110.411 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 58.3 tttp -113.65 -37.86 4.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 57.8 m-85 -135.07 141.94 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.57 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.545 ' HB ' ' HG3' ' A' ' 4' ' ' LYS . 6.9 m -84.52 95.4 8.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.441 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 48.5 t -88.95 116.38 30.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -172.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -117.85 113.65 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.646 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' A' ' 7' ' ' PHE . 70.3 mt -89.39 128.41 41.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.159 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.9 t -117.5 116.74 52.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -85.07 110.27 18.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.437 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 56' ' ' VAL . 91.4 mt -85.61 -1.29 56.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.29 -28.96 21.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.059 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 m -75.05 -55.36 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 110.793 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' OD2' ' HG3' ' A' ' 44' ' ' ARG . 25.2 t70 -115.68 138.07 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.608 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.34 -19.28 25.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.595 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.15 63.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.075 0.464 . . . . 0.0 110.525 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' HG3' ' OD2' ' A' ' 41' ' ' ASP . 85.9 mtt-85 -67.75 -22.01 65.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.728 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -66.31 -32.62 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.6 93.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.53 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.75 -46.12 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.22 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.57 -46.89 87.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.19 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.51 -46.05 91.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.19 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -75.81 -12.25 60.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.2 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.25 -18.83 24.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.1 11.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.7 t -82.76 126.21 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.308 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -101.09 -39.44 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.02 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -145.44 169.59 18.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 -173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.727 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.9 m -129.57 151.51 78.12 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.01 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.687 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 65.1 Cg_endo -74.67 140.28 66.44 Favored 'Cis proline' 0 C--O 1.234 0.317 0 C-N-CA 123.067 -1.639 . . . . 0.0 113.029 2.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -112.81 145.66 40.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 tp -123.2 101.98 7.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.904 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.666 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 48.7 t -85.15 99.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.854 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.83 98.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.7 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 59.95 19.6 8.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.972 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.6 -12.08 9.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.725 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.83 125.75 41.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.613 -0.345 . . . . 0.0 110.222 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.25 104.48 17.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.019 0.438 . . . . 0.0 111.518 -174.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -106.05 164.16 12.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -128.93 142.68 50.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.725 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.4 mt -131.92 100.58 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.368 0.417 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 67.11 121.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.705 0.802 . . . . 0.0 112.025 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -73.46 95.23 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.49 -51.38 2.19 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -139.28 154.88 48.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.315 -0.443 . . . . 0.0 109.87 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.503 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -119.1 143.98 17.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.726 -178.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 17.4 tt -63.45 -28.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 110.802 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -35.28 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.624 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.11 -34.36 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.257 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 85.0 mt -55.14 -48.99 72.93 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.625 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -71.97 111.75 7.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 121.96 -4.12 10.65 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 -172.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.095 178.227 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.877 0.37 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.15 82.01 2.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -56.01 149.14 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.54 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.87 119.73 31.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.081 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.97 123.81 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.78 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -103.86 119.24 52.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.07 0.462 . . . . 0.0 110.571 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.461 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.1 t80 -95.3 122.52 38.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.348 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -105.96 124.15 49.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.469 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.948 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 5.9 p80 -135.62 172.04 13.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.408 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.9 0.31 9.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.598 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.0 -3.22 87.12 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.713 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 p -74.94 161.59 76.96 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.927 -0.161 . . . . 0.0 110.682 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.94 -31.18 26.29 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.34 2.694 . . . . 0.0 113.466 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.06 -29.91 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.073 0.464 . . . . 0.0 110.846 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 39.6 m -68.47 -32.45 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.0 -48.37 88.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -58.42 -47.11 85.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.06 81.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.201 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 32.3 tt0 -64.68 -57.53 8.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -67.29 -31.3 71.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.061 -172.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.84 -64.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.979 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.07 -46.1 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.45 -4.15 31.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.719 0.295 . . . . 0.0 111.61 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -110.95 -16.6 13.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.848 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.21 -46.4 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.136 0.493 . . . . 0.0 109.953 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.84 111.71 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 11.1 t70 -68.8 126.82 93.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.237 -172.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 23.5 Cg_exo -65.19 -15.46 50.31 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.164 2.576 . . . . 0.0 113.176 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.76 -15.57 34.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.406 0.622 . . . . 0.0 109.526 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -99.35 -36.08 9.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.169 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 97.5 m-85 -136.69 160.05 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.232 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 38.3 m -95.81 105.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.537 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.8 111.94 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.625 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -108.1 123.07 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' HD2' ' B' ' 7' ' ' PHE . 64.6 mt -102.08 127.41 55.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 -175.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.96 132.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -86.9 114.45 23.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.074 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.6 tp -109.73 13.97 23.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.465 0.65 . . . . 0.0 110.188 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.37 30.84 8.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.277 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.6 m -153.89 -53.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.811 -0.229 . . . . 0.0 111.141 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 33.4 m-20 -88.0 110.48 20.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -68.52 -21.76 64.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.306 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.64 67.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.188 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 69.6 mtt-85 -80.72 -14.98 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.258 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.536 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 74.1 mt -65.15 -38.08 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.795 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.25 -36.93 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.401 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.612 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 39.3 mt-10 -69.56 -39.15 77.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.349 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.2 -37.7 83.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.736 177.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 31.1 mt-10 -73.96 -13.45 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' B' ' 47' ' ' GLU . 65.7 mttm -78.12 -42.46 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.77 48.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.17 26.7 6.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.29 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.9 t -76.14 127.34 37.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -106.21 -16.67 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.683 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.3 m -152.11 147.95 27.07 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.599 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.614 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.0 m -80.41 -169.74 0.22 Allowed Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.948 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.3 Cg_exo 14.69 84.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.505 0 C-N-CA 123.544 2.829 . . . . 0.0 114.44 -135.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.636 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -149.55 161.07 42.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.639 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 61.1 tp -125.57 114.74 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.967 0.413 . . . . 0.0 110.721 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 48.3 t -94.92 102.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.928 0.394 . . . . 0.0 110.461 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.3 mt -93.34 98.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.358 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.8 t70 46.85 75.04 0.13 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.795 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.94 -41.71 3.08 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.555 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.33 114.8 22.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -85.57 107.28 17.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.198 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.56 100.74 11.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.073 0.463 . . . . 0.0 109.996 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.525 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.6 m80 -70.82 137.91 49.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' B' ' 58' ' ' ALA . 9.5 mt -95.88 -175.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.624 ' H ' HG22 ' B' ' 68' ' ' ILE . 9.4 m120 -28.0 117.4 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.385 0.428 . . . . 0.0 110.614 167.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -44.47 105.74 0.06 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 124.372 1.045 . . . . 0.0 112.257 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.83 -89.13 0.63 Allowed Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.927 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.581 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.99 140.24 36.23 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.021 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.63 143.57 40.58 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.51 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.0 tt -65.33 -25.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.351 0.596 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.05 -31.61 68.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.325 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.87 -27.56 61.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.273 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.56 -15.34 60.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.17 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.14 96.79 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.79 -28.43 9.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.776 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 119.143 -0.455 . . . . 0.0 110.512 -179.431 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -95.66 155.39 16.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.519 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 67.4 m -151.59 171.43 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.96 0.409 . . . . 0.0 111.193 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.44 136.18 51.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . . . -142.44 120.44 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.324 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 32.4 mt -120.34 135.18 61.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.252 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' HD1' ' HD2' ' A' ' 9' ' ' HIS . 22.2 t80 -119.05 106.18 12.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -95.21 126.01 40.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.08 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 12.6 p80 -161.92 172.92 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.35 7.11 13.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.66 15.06 60.41 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.337 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' A' ' 16' ' ' VAL . 14.4 m -66.24 147.33 98.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.21 -27.2 46.11 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.48 -45.26 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 19.5 p -80.75 -16.56 53.54 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.371 -175.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 12' ' ' CYS . 95.6 t -58.7 -46.06 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.198 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.9 m -61.75 -33.51 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.76 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.83 -38.79 67.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.741 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 38.9 tt0 -67.58 -24.09 65.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.521 . . . . 0.0 110.072 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.12 -57.31 3.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.72 -66.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.43 -39.98 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.44 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -77.06 1.45 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.95 -9.34 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.392 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.64 35.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.32 101.26 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.789 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.47 164.77 14.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.953 -174.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 37.7 Cg_exo -62.33 -8.86 13.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.559 2.839 . . . . 0.0 114.921 -173.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -74.54 -22.97 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.288 0.566 . . . . 0.0 110.045 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 30.0 mtpp -110.68 -46.49 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 96.1 m-85 -134.18 143.02 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.331 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -84.15 91.16 7.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -80.55 110.91 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.562 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.17 118.44 36.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.48 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -80.54 128.82 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.346 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.81 111.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 0.0 110.366 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -88.34 116.96 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.113 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.1 mt -92.06 1.31 57.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.47 -55.98 3.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.456 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.5 m -71.13 -40.61 71.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 0.0 110.773 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.11 97.27 7.11 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -84.26 -7.24 59.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.356 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.89 -23.23 55.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.288 0.566 . . . . 0.0 109.84 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -73.55 -10.21 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.756 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.93 -31.98 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.65 77.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.117 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.31 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.45 -54.99 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.761 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.09 -29.45 70.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.985 0.421 . . . . 0.0 110.624 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -61.89 -37.43 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.542 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 -24.96 28.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.167 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.81 4.62 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.611 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 89.4 t -70.05 114.13 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -112.24 -10.81 13.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.666 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -145.3 159.43 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.702 0.287 . . . . 0.0 110.508 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.57 145.39 42.74 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.076 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.733 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 98.4 Cg_endo -79.79 158.29 88.6 Favored 'Cis proline' 0 C--N 1.344 0.314 0 C-N-CA 123.236 -1.568 . . . . 0.0 112.742 -0.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.65 121.78 31.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -99.9 108.61 20.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.782 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 47.5 t -96.92 106.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.946 0.403 . . . . 0.0 110.67 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.4 mt -96.36 105.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.538 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 65.39 -74.62 0.05 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 111.309 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 9.05 1.81 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.109 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.39 115.17 29.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.753 0.311 . . . . 0.0 110.513 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.57 114.33 26.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.474 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.5 m-85 -106.65 115.13 29.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.013 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.04 111.73 10.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.987 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.733 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 51.5 mt -74.45 93.54 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 66.57 169.92 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.097 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -100.16 90.36 4.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.49 -69.14 1.39 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.571 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.4 130.13 26.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.572 0.225 . . . . 0.0 110.491 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.52 144.65 30.7 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.244 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 13.1 tt -72.31 -15.96 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.159 0.504 . . . . 0.0 110.85 -175.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -80.3 -22.63 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 109.805 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.79 -30.6 32.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.389 175.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.67 -24.6 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.458 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 65.3 mttp -66.15 -38.01 87.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.57 -107.15 2.12 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.608 -175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.587 -0.72 . . . . 0.0 109.577 176.818 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.89 87.92 1.81 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.024 0.44 . . . . 0.0 111.295 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -82.57 168.99 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.658 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' HB ' ' B' ' 32' ' ' THR . 83.1 tttt -93.79 126.12 38.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.0 111.326 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.97 116.09 22.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.758 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.423 HD11 ' HE2' ' B' ' 4' ' ' LYS . 50.5 mt -104.44 127.67 58.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.45 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.491 ' HD2' HG23 ' B' ' 35' ' ' ILE . 80.9 t80 -104.76 128.18 52.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -113.1 133.38 55.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 27.1 p80 -149.94 176.37 10.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.209 -0.197 . . . . 0.0 110.749 174.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 12.69 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.06 0.71 80.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.812 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.2 m -61.67 159.1 36.41 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.878 0.339 . . . . 0.0 110.563 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.69 -37.59 84.04 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.757 2.304 . . . . 0.0 112.108 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.34 -31.94 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 50.0 m -65.52 -43.88 88.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.04 -45.29 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 27.0 t -64.87 -42.62 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.075 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.6 86.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.305 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 15' ' ' CYS . 50.7 mt-10 -65.27 -53.96 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.0 -69.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.532 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.17 -49.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.08 -7.19 47.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.727 0.299 . . . . 0.0 111.549 -176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -109.97 -9.92 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.816 0.341 . . . . 0.0 110.729 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -42.21 50.07 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.18 113.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.494 ' HB2' ' HD2' ' A' ' 30' ' ' LYS . 9.9 t70 -73.13 136.75 79.07 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.15 -172.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.01 -20.03 68.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.126 2.551 . . . . 0.0 112.666 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -97.19 2.75 51.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 110.285 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -106.2 -41.84 5.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -140.92 161.24 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.607 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . 0.495 ' HB ' ' HA ' ' B' ' 4' ' ' LYS . 23.5 m -85.63 95.47 9.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.8 117.51 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -119.48 119.44 33.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.229 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.17 121.51 45.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.64 120.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 110.951 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -84.33 108.45 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.314 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.709 HD12 HG12 ' B' ' 56' ' ' VAL . 86.6 mt -79.74 -24.1 41.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.716 0.293 . . . . 0.0 111.086 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 45.34 3.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.268 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 86.4 m -141.06 -52.59 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 110.469 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.62 ' HB3' ' HG3' ' B' ' 44' ' ' ARG . 11.8 t70 -115.38 131.85 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.59 -26.71 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.53 -22.5 57.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.62 ' HG3' ' HB3' ' B' ' 41' ' ' ASP . 1.4 mmp_? -62.55 -33.0 74.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.48 -48.58 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.812 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.13 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 44' ' ' ARG . 39.5 mt-10 -62.85 -44.59 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.403 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.32 -40.05 89.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.532 0.206 . . . . 0.0 111.08 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.84 -29.37 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 111.164 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.52 -10.45 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.23 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.59 1.1 34.8 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.275 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.33 108.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.09 0.471 . . . . 0.0 110.368 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -101.13 -12.32 18.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.6 m -143.39 145.28 32.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.631 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.709 HG12 HD12 ' B' ' 38' ' ' LEU . 14.2 m -76.47 -171.23 0.24 Allowed Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.775 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 2.3 Cg_exo 12.97 93.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 123.657 2.905 . . . . 0.0 114.757 -133.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.24 151.03 37.74 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.253 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 tp -122.86 119.54 30.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.427 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.35 105.44 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -100.31 105.22 17.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.09 23.09 11.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.546 0.689 . . . . 0.0 111.349 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.13 -25.54 9.86 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.382 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.57 112.31 19.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.679 0.276 . . . . 0.0 110.462 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.94 111.72 23.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.076 0.465 . . . . 0.0 111.638 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -113.36 111.98 22.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.555 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.7 m80 -65.51 129.2 38.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.409 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 49.0 mm -94.65 96.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.082 0.468 . . . . 0.0 110.155 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 4.6 t-20 67.3 -174.1 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.356 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -90.84 93.43 9.22 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.87 -103.68 0.48 Allowed Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.872 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.61 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.29 159.0 43.16 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.012 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.66 123.06 6.53 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.477 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 tt -65.72 -19.72 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 121.425 0.631 . . . . 0.0 110.52 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.423 ' HA ' ' NZ ' ' B' ' 78' ' ' LYS . 28.7 t70 -69.67 -23.82 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.713 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.96 -23.38 66.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.414 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.72 -8.35 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 75' ' ' ASP . 54.5 mttp -90.05 -4.22 57.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.057 0.456 . . . . 0.0 110.083 175.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.69 -99.14 1.61 Allowed Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.249 1.033 0 CA-C-O 119.133 -0.46 . . . . 0.0 110.189 177.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.59 81.11 8.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.227 0.537 . . . . 0.0 110.752 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -89.32 -174.45 4.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HE3' HD11 ' A' ' 6' ' ' ILE . 65.2 pttt -125.42 165.0 19.21 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.833 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -130.44 113.29 14.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.701 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.503 HD11 ' HE3' ' A' ' 4' ' ' LYS . 29.9 mt -95.91 119.84 44.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 110.336 -175.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.594 ' HD1' ' HG ' ' A' ' 59' ' ' LEU . 47.5 t80 -102.28 103.0 13.45 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.987 -176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.83 126.8 40.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.961 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 17.7 p80 -154.3 -179.56 8.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.61 0.243 . . . . 0.0 110.774 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 18.69 10.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.682 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.65 3.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.823 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -113.64 146.6 35.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.37 -35.92 98.86 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.022 2.481 . . . . 0.0 112.393 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.23 -38.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.288 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 17.5 m -67.15 -45.5 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.083 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.33 -37.39 63.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.6 m -62.3 -38.28 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.359 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.8 67.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.899 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' CYS . 57.7 mt-10 -65.93 -39.8 90.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -78.55 -28.95 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.97 -71.1 0.72 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.75 -47.91 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.538 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -71.17 -11.45 60.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.555 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.73 -7.57 20.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.057 0.456 . . . . 0.0 110.75 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 -39.45 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 173.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.88 116.21 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.895 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.9 t70 -70.99 132.09 86.85 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 39.1 Cg_exo -58.37 -37.65 94.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.447 2.765 . . . . 0.0 113.763 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -85.76 1.52 49.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.284 0.564 . . . . 0.0 110.855 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -96.15 -53.42 3.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -137.01 121.82 18.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.093 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 30.4 m -71.26 108.87 4.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.941 0.4 . . . . 0.0 111.188 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.3 t -83.11 123.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.89 115.2 29.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 7' ' ' PHE . 45.3 mm -87.39 117.92 32.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.09 126.05 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 0.0 111.239 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -96.25 107.86 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.039 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.22 -10.38 59.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.534 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.37 -23.42 68.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.299 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.9 m -93.2 -14.13 27.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.017 0.437 . . . . 0.0 110.99 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 12.1 t70 -137.61 113.26 9.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.857 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' HG13 ' A' ' 45' ' ' ILE . 99.1 mttt -89.12 -9.25 51.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.426 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.45 -37.62 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.077 0.465 . . . . 0.0 109.918 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HG3' ' OD1' ' A' ' 41' ' ' ASP . 55.1 mtt180 -68.73 -17.55 64.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.879 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.521 HG23 HD11 ' A' ' 74' ' ' ILE . 60.4 mt -60.2 -42.73 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.294 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.32 88.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.508 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.19 -43.08 92.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.352 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -63.04 -41.04 99.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.812 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 49.2 mt-10 -58.62 -48.9 79.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.958 177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.33 -35.0 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.984 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.18 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.94 32.81 0.97 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.304 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 63.7 t -96.99 110.67 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -106.14 -17.27 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.198 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.412 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 19.7 m -143.26 156.69 44.79 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 28.5 m -122.89 145.82 46.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.968 174.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 95.4 Cg_endo -80.77 151.93 81.4 Favored 'Cis proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.11 -1.621 . . . . 0.0 113.135 1.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -125.69 130.92 52.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.036 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HG ' ' HD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -105.27 107.89 19.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.149 0.499 . . . . 0.0 109.994 -178.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 5' ' ' ALA . 48.0 t -88.48 94.87 4.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.363 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 39.5 mt -91.8 121.08 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 4.2 m-20 71.03 -53.71 0.67 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.812 0.695 . . . . 0.0 110.909 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.55 -21.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.299 -174.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.83 137.49 32.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.973 0.386 . . . . 0.0 110.461 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.83 107.13 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.924 0.393 . . . . 0.0 111.455 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.1 114.77 29.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.856 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 69.2 m80 -72.14 148.12 45.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.47 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.581 HD11 HD12 ' A' ' 59' ' ' LEU . 64.0 mt -119.42 103.14 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 92.5 m-20 66.62 -178.7 0.2 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.612 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -123.47 90.52 3.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.56 -62.32 1.64 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 152.21 46.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.0 163.24 26.67 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.327 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.521 HD11 HG23 ' A' ' 45' ' ' ILE . 10.8 tp -73.69 -26.6 21.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 109.914 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.09 -33.41 44.46 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.272 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.13 -17.86 58.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.107 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.6 tp -69.15 -34.38 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.77 88.61 6.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.78 161.33 26.99 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.061 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.289 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 31' ' ' TYR . . . -72.75 95.98 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.048 0.451 . . . . 0.0 110.457 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.733 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 44.2 m -80.06 167.92 19.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.029 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' B' ' 34' ' ' GLU . 59.8 tttp -83.67 88.91 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.4 104.65 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.852 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.3 mt -96.96 117.85 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -176.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.481 ' HE1' HD12 ' B' ' 68' ' ' ILE . 88.1 t80 -98.64 119.58 37.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.007 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.518 ' HB3' HD11 ' B' ' 38' ' ' LEU . 91.5 m-85 -102.17 122.74 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.692 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 10.1 p80 -142.5 173.25 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.09 19.57 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.727 0.299 . . . . 0.0 111.212 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.27 64.6 2.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.367 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -133.27 157.49 78.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.05 -33.08 88.72 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.696 2.264 . . . . 0.0 112.107 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -60.88 -36.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.704 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 20.3 m -68.42 -36.53 79.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 -51.04 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.6 m -61.41 -40.07 93.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.295 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.65 -51.65 53.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.961 0.41 . . . . 0.0 111.185 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -71.22 -16.4 62.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.082 -173.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.05 -66.47 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 111.397 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -48.81 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.317 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.93 4.94 10.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -107.4 -33.46 7.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.27 83.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.594 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -93.62 97.2 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.988 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -58.45 133.83 85.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.592 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 29.7 Cg_endo -64.67 -14.37 44.28 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.844 2.363 . . . . 0.0 111.567 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.34 -19.75 38.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.956 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -98.54 -43.48 6.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.511 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 2' ' ' ALA . 90.4 m-85 -136.38 138.77 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.424 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -77.36 100.34 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.49 120.63 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.5 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' B' ' 4' ' ' LYS . 47.7 mt-10 -106.39 121.37 44.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.342 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -87.74 107.38 17.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.071 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.71 117.54 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -88.59 113.09 23.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.039 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 8' ' ' TYR . 52.5 mt -81.66 -15.17 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.049 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.25 -19.81 71.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.532 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -72.43 -47.88 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.44 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 54.2 m-20 -127.27 121.99 32.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 -176.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -74.73 -18.71 60.46 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.76 -22.02 66.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.505 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.508 ' HG2' ' OE1' ' B' ' 47' ' ' GLU . 72.3 mtt180 -75.52 -18.11 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.957 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.8 -37.02 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.508 ' OE1' ' HG2' ' B' ' 44' ' ' ARG . 42.1 mt-10 -73.48 -33.07 64.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 109.998 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -64.1 -35.18 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.063 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.11 -31.98 73.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.69 175.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 66.3 mttm -69.09 -51.24 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.349 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.35 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.472 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.69 42.8 3.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.912 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.0 t -91.87 119.63 39.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.655 0.264 . . . . 0.0 110.359 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.76 -29.01 17.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.44 . . . . 0.0 110.672 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -140.35 137.98 34.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.895 0.379 . . . . 0.0 111.183 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.711 HG23 ' HD2' ' B' ' 57' ' ' PRO . 15.6 m -79.02 -161.1 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.55 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.999 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' B' ' 56' ' ' VAL . 0.7 OUTLIER 11.8 92.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 123.531 2.821 . . . . 0.0 114.454 -135.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' B' ' 66' ' ' PHE . . . -144.39 175.67 9.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 113.753 -1.567 . . . . 0.0 110.77 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.79 117.48 10.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.437 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.05 106.37 20.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 110.285 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.62 92.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.714 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.733 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 13.1 t70 48.65 69.04 0.6 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.611 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.24 -35.66 3.94 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.836 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 111.67 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.31 123.0 34.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.834 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.474 ' O ' ' HB1' ' B' ' 58' ' ' ALA . 67.8 m-85 -129.46 154.94 46.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.547 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.18 139.0 50.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' B' ' 7' ' ' PHE . 60.5 mt -97.08 102.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 91.0 m-20 60.76 -161.16 0.29 Allowed 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -168.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -105.13 94.46 5.25 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 172.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.56 -90.01 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.35 -0.928 . . . . 0.0 110.892 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.575 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.2 128.08 21.97 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.116 174.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.75 136.69 50.1 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.115 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.5 tt -65.04 -19.97 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 117.434 0.617 . . . . 0.0 110.187 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.01 -43.93 97.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.053 173.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.65 -26.09 41.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.293 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.929 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.53 106.25 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 110.255 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.71 -22.05 2.17 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.657 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.843 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.076 0.465 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -83.77 85.06 7.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.855 177.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 12.9 m -62.12 148.51 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.897 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -73.09 101.51 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.027 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -94.86 103.9 15.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.967 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 28.8 mt -96.73 116.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -99.07 114.97 27.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.67 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 44.8 m-85 -99.57 119.77 38.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.14 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 6.8 p80 -140.19 162.88 34.21 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.794 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.17 17.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.629 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.02 27.67 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.357 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 28.9 p -97.22 168.33 10.4 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 78.8 Cg_exo -49.88 -39.78 48.88 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.712 2.275 . . . . 0.0 112.823 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.01 -35.09 66.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.088 0.47 . . . . 0.0 110.665 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 84.1 m -69.64 -40.04 76.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.93 -44.75 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 m -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.86 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -79.98 -4.35 52.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -173.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 -65.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.459 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.33 -48.0 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.028 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.26 3.46 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -106.63 -28.53 10.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.378 0.609 . . . . 0.0 109.5 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.67 -35.27 67.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.89 92.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.065 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 7.9 p-10 -94.18 153.7 40.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.757 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -59.05 -13.61 19.81 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.67 2.913 . . . . 0.0 114.332 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.02 -33.7 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.977 0.418 . . . . 0.0 110.168 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 54.4 tttp -100.7 -47.69 4.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.729 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 93.7 m-85 -136.31 124.9 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.613 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 19.7 m -81.39 123.84 28.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.039 0.447 . . . . 0.0 111.026 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 39.7 t -102.61 135.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.793 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -108.26 138.73 44.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.121 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.13 118.5 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.578 0.227 . . . . 0.0 110.751 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.8 123.19 70.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.843 0.354 . . . . 0.0 110.581 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -99.41 114.39 27.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.031 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HG11 ' A' ' 56' ' ' VAL . 88.6 mt -88.34 -9.68 51.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.68 39.38 3.0 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.324 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.8 m -152.23 -68.24 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.644 0.259 . . . . 0.0 110.323 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 9.5 t70 -89.7 136.48 33.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -83.39 -23.41 32.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.64 66.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.57 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 1.7 mmp_? -52.62 -41.92 64.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.099 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.67 -45.29 95.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -58.65 -43.22 89.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.685 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.51 -40.95 96.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.843 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.38 77.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.871 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.24 -14.51 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 66.4 mttm -85.84 -39.12 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.461 . . . . 0.0 109.802 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.73 -34.86 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.569 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.55 40.17 1.8 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.742 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.39 132.67 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.09 -38.98 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 45.5 m -146.39 167.07 24.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 38' ' ' LEU . 30.7 m -122.94 151.1 60.6 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.58 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.679 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.6 Cg_endo -76.18 155.66 98.48 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 123.213 -1.578 . . . . 0.0 112.929 0.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 8' ' ' TYR . . . -125.24 154.66 41.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.624 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.245 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 58.6 t -91.24 107.44 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 63' ' ' GLY . 49.1 mm -93.49 97.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.587 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 26.2 t70 72.09 -21.98 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.588 0.755 . . . . 0.0 112.224 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.44 -27.84 0.18 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.08 130.5 34.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.351 -0.241 . . . . 0.0 110.351 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.9 110.0 22.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.417 . . . . 0.0 111.411 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.86 164.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.891 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.513 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -122.35 149.39 43.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.679 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 mm -111.91 103.63 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' B' ' 67' ' ' HIS . 87.3 m-20 65.36 -168.95 0.2 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.518 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -124.15 84.76 2.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.07 -70.7 1.32 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.252 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 146.28 39.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.464 0.173 . . . . 0.0 110.803 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -87.72 141.08 16.97 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.582 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 tt -69.93 -26.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.864 0.364 . . . . 0.0 111.309 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -76.34 -34.5 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.457 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.29 -25.83 65.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.468 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -69.12 -13.93 62.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.966 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.18 -32.92 74.85 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.527 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.54 117.58 5.85 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.575 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.178 -179.526 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.78 110.81 4.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.783 0.325 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 59.9 m -84.51 172.93 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.415 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 62' ' ' ASP . 28.2 mtpp -71.53 132.39 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.177 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 85.27 2.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.72 120.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -98.33 129.93 45.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.88 130.48 55.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.663 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -158.07 160.75 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.433 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 20.79 15.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.53 89.74 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.443 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.482 ' O ' HG23 ' B' ' 16' ' ' VAL . 23.6 p -156.96 160.17 30.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' B' ' 12' ' ' CYS . 13.9 Cg_endo -57.18 -32.24 92.91 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.521 2.147 . . . . 0.0 112.701 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.72 -45.44 95.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.48 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.858 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 22.0 p -76.41 -23.09 54.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.568 -175.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 12' ' ' CYS . 64.2 t -61.8 -35.72 69.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -61.73 -49.39 76.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.992 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.43 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.919 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.48 -50.01 75.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.301 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -89.14 -1.14 57.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.58 -69.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.596 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.92 -43.7 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.82 -1.18 26.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.269 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -106.15 -16.1 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.637 0.732 . . . . 0.0 109.203 173.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.586 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -80.6 -37.97 30.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.015 175.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.12 114.17 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 16.3 t70 -64.92 128.06 93.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.449 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 31.5 Cg_exo -60.2 -23.4 73.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.432 2.755 . . . . 0.0 113.997 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.5 p -104.28 -3.69 23.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 52.9 tttp -84.98 -39.42 18.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.714 ' HD1' ' H ' ' B' ' 3' ' ' SER . 60.1 m-85 -140.02 163.35 32.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.0 m -78.38 93.75 4.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.34 112.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.219 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.98 141.93 49.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.832 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mm -115.35 115.14 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.17 113.9 42.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.137 0.494 . . . . 0.0 110.443 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -91.6 111.74 23.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.91 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.58 HD12 HG12 ' B' ' 56' ' ' VAL . 55.9 mt -90.27 -6.99 54.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.791 -177.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.56 38.74 3.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.566 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -156.68 -45.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 109.791 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.618 ' HB3' ' HD2' ' B' ' 44' ' ' ARG . 14.2 t70 -109.7 122.32 47.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.425 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.13 -20.29 41.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.165 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.27 79.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.096 0.474 . . . . 0.0 110.137 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.618 ' HD2' ' HB3' ' B' ' 41' ' ' ASP . 67.1 mtt85 -60.15 -32.34 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.232 175.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -44.52 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.07 0.462 . . . . 0.0 110.063 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -10.58 59.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.11 -36.06 12.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 110.137 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.78 87.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.25 -16.62 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.529 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -77.07 -51.92 10.22 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.02 -33.89 75.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.17 33.96 1.42 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.261 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.73 104.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -77.81 -30.43 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.587 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 p -151.46 154.8 37.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.553 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.611 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.6 m -71.94 -167.39 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.448 174.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.858 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 6.6 Cg_exo 12.57 91.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.057 3.171 . . . . 0.0 115.383 -136.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.81 154.51 37.42 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.635 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 tt -131.55 129.36 40.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 109.962 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.89 111.74 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -99.09 118.66 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' HD3' ' B' ' 4' ' ' LYS . 26.6 t70 67.31 -68.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.959 0.904 . . . . 0.0 111.353 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.62 19.12 0.16 Allowed Glycine 0 C--N 1.312 -0.752 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.2 132.46 53.0 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.53 115.79 26.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.305 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -115.14 114.25 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.039 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 58' ' ' ALA . 72.1 m80 -72.35 131.1 42.19 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.315 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 43.0 mm -92.25 99.31 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.8 m-20 66.07 -171.45 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -100.11 101.22 12.21 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.92 0.1 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.288 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.563 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -140.13 132.33 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.398 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' B' ' 77' ' ' LEU . . . -58.61 124.69 37.36 Favored Glycine 0 C--O 1.229 -0.219 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.642 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.3 tt -67.65 -25.0 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 117.155 0.477 . . . . 0.0 111.289 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.05 -30.06 39.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.1 -24.2 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.708 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 73' ' ' GLY . 93.8 mt -70.9 -11.87 61.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.05 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.98 -13.39 60.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.482 0.658 . . . . 0.0 109.319 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.03 77.12 1.89 Allowed Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.73 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.015 0.436 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.48 80.88 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -89.71 140.84 29.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -79.15 112.04 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.357 0.598 . . . . 0.0 111.326 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -108.62 106.79 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.557 175.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.01 116.04 36.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 110.3 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 9' ' ' HIS . 61.2 t80 -100.79 98.51 9.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 54.6 m-85 -86.05 108.19 18.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.963 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 8.2 p80 -119.62 161.49 20.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.738 0.304 . . . . 0.0 110.69 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.32 -4.64 31.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.285 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.56 89.42 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.7 m -66.35 157.08 83.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.25 -41.49 50.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.185 2.59 . . . . 0.0 112.624 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.27 -38.03 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.808 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 9' ' ' HIS . 61.1 m -66.95 -37.11 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.142 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 60.2 t -64.13 -47.35 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.434 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 m -59.57 -39.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 26.8 tt0 -68.5 -47.69 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 96.4 mt-30 -58.32 -35.34 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.592 -177.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.68 -65.74 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.01 -48.07 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -70.87 -14.02 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' HE2' ' B' ' 30' ' ' LYS . 18.5 m-80 -103.04 -3.6 25.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.301 175.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' HE1' ' B' ' 31' ' ' TYR . . . -88.26 -31.62 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.242 0.544 . . . . 0.0 109.675 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.17 96.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.268 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 9.3 m-20 -58.37 130.83 84.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.077 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 34.6 Cg_exo -61.73 -15.45 42.36 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.247 2.631 . . . . 0.0 112.95 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -88.41 -23.65 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.209 0.528 . . . . 0.0 110.014 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -79.12 -47.77 15.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 94.0 m-85 -140.01 138.0 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.931 173.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -75.97 101.68 5.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 0.0 111.603 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.0 131.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -114.92 104.19 11.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.936 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.96 119.52 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.385 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 59.1 t -128.96 125.64 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -85.68 119.8 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.4 tp -110.55 4.16 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.365 0.602 . . . . 0.0 110.582 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.76 -31.86 42.99 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -93.84 -41.46 9.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.011 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -76.36 101.78 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.069 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -83.05 -10.56 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.171 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -33.56 32.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.892 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -76.26 4.02 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.26 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.76 -33.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.18 75.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.012 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 32.0 tt0 -73.32 -26.88 61.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.18 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.818 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -65.66 -28.11 68.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.243 0.544 . . . . 0.0 110.358 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 47' ' ' GLU . 62.0 tttm -70.61 -38.79 74.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.113 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.17 -35.05 14.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.623 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.11 20.84 5.47 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.984 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.07 107.58 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -100.7 -16.62 17.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -154.05 165.23 36.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.7 145.07 48.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.559 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.08 145.79 55.98 Favored 'Cis proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.12 -1.617 . . . . 0.0 112.766 0.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.53 126.56 43.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.837 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -101.1 101.97 12.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.4 t -85.47 97.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' GLY . 58.9 mt -90.39 107.26 18.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.019 -177.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 72.87 -23.22 0.21 Allowed 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.728 0.642 . . . . 0.0 111.759 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 152.53 -10.85 0.62 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.94 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.06 117.55 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -83.63 113.26 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.387 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -104.53 108.06 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.214 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 56.4 m80 -79.32 117.53 20.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.182 -177.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.71 98.87 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.687 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 68.52 121.23 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.928 0.767 . . . . 0.0 111.195 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -72.43 96.9 1.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.958 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.32 -61.93 1.3 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 134.88 33.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.4 159.02 23.13 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.715 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.91 -32.25 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.81 -32.91 74.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.0 110.73 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.08 -42.94 36.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.878 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.76 -25.63 53.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.323 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -107.6 18.92 20.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.583 0.706 . . . . 0.0 110.137 -176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.04 166.47 46.53 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.101 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.514 -178.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.703 0.287 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.96 91.27 3.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' B' ' 31' ' ' TYR . 17.1 m -64.47 151.51 44.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.301 -175.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 1.6 tpmt? -61.38 139.56 58.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.237 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' B' ' 33' ' ' VAL . . . -141.72 97.4 3.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.2 mm -104.3 117.58 50.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -100.56 121.87 42.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.316 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 83.1 m-85 -102.64 129.36 49.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.347 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.919 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 28.5 p80 -150.11 172.38 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.843 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.09 -7.01 11.92 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.06 -3.16 55.34 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.155 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.524 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 58.2 m -66.28 163.9 35.22 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.259 0.224 . . . . 0.0 110.525 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 6.6 Cg_endo -49.09 -42.72 38.45 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.22 2.613 . . . . 0.0 112.831 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.28 -34.31 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.162 0.506 . . . . 0.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 33.5 m -66.28 -40.55 90.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.389 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.41 -50.79 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.763 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.71 -44.02 90.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.52 65.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.478 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 19.2 tt0 -64.17 -33.2 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 110.631 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.31 -63.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.352 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 -49.11 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -171.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.522 HG21 HG21 ' B' ' 68' ' ' ILE . 44.3 t -68.06 -41.2 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -171.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.43 -22.72 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -98.29 -3.86 36.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -88.47 -43.45 11.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.656 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.4 mt -75.62 125.72 35.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 14.5 t70 -69.98 124.8 91.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.362 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -11.72 31.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.205 2.604 . . . . 0.0 113.23 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -99.6 -9.29 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.41 0.624 . . . . 0.0 109.642 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.514 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 36.9 tttp -93.54 -45.66 7.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.223 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' B' ' 3' ' ' SER . 93.8 m-85 -129.03 149.17 50.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.647 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.7 m -86.93 92.2 8.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.012 0.434 . . . . 0.0 110.067 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' B' ' 5' ' ' ALA . 40.2 t -84.48 115.12 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.021 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -121.86 134.78 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -97.59 125.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.518 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' B' ' 8' ' ' TYR . 90.1 t -121.96 127.84 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.476 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.26 124.18 31.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.12 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 tp -126.33 108.87 11.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.196 0.522 . . . . 0.0 109.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.71 -58.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.082 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 2.1 m -80.66 -10.04 59.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.629 0.728 . . . . 0.0 109.842 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -103.6 106.55 17.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.971 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -88.84 -9.46 51.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.95 -49.73 12.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 0.0 111.067 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -82.25 10.14 7.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.981 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.489 HG23 HD11 ' B' ' 74' ' ' ILE . 55.3 mt -61.72 -37.01 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 171.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.93 -29.84 70.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.942 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.83 -40.72 83.75 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.925 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.14 -40.08 88.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.98 -29.24 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.915 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 97.8 mttt -71.43 -41.7 69.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 110.626 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.3 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.67 23.2 8.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.919 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 43.3 t -81.94 102.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.16 -16.6 32.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.249 0.547 . . . . 0.0 110.662 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.9 m -148.34 143.35 26.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.788 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.579 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 10.2 m -71.72 -169.23 0.11 Allowed Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.919 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 16.09 86.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 0 C-N-CA 123.792 2.995 . . . . 0.0 115.009 -135.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -154.6 152.77 30.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.093 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tt -123.49 128.11 49.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 35.7 t -98.24 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.566 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.35 101.67 12.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.931 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' HA ' ' HB3' ' B' ' 4' ' ' LYS . 27.5 t70 66.0 -70.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.099 0.96 . . . . 0.0 111.585 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.38 8.05 1.84 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.981 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.79 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -87.46 120.6 28.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -114.63 120.38 39.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.131 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.431 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 71.2 m80 -77.49 118.97 20.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.907 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.522 HG21 HG21 ' B' ' 22' ' ' VAL . 58.6 mt -108.05 94.91 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 66.22 118.2 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.14 0 O-C-N 124.084 0.865 . . . . 0.0 109.649 -170.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -55.06 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.992 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.37 -90.83 0.29 Allowed Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.534 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.559 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.73 136.35 34.09 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.252 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.94 134.57 17.37 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.298 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.489 HD11 HG23 ' B' ' 45' ' ' ILE . 14.9 tt -68.44 -24.29 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.315 0.579 . . . . 0.0 109.625 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' B' ' 78' ' ' LYS . 4.5 m-20 -63.39 -25.64 68.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.922 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -74.17 -36.35 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.57 -25.64 57.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' B' ' 75' ' ' ASP . 52.5 mttm -70.12 102.35 2.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.857 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.47 54.38 4.33 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.454 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.248 1.006 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.517 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.48 124.98 34.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.547 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.38 155.72 19.91 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -89.7 138.82 31.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.085 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.11 113.25 21.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.229 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mt -95.12 121.35 45.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.91 0.386 . . . . 0.0 110.605 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.638 ' HD2' HG23 ' A' ' 35' ' ' ILE . 73.6 t80 -104.1 102.73 12.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.161 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -89.94 122.74 33.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.275 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 11.6 p80 -133.79 175.28 9.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.628 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.95 19.39 10.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.331 -177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.88 19.92 78.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.893 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.6 151.54 61.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.61 -38.86 84.39 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.727 2.284 . . . . 0.0 112.308 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -60.67 -35.7 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.873 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 35.2 m -65.56 -39.81 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.15 -40.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -63.6 -37.65 88.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.675 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.53 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.591 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.4 tt0 -64.06 -43.02 96.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.036 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.86 -22.02 46.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.056 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.27 -67.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.54 -44.44 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.328 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -74.82 -4.27 36.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.568 -177.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -101.73 -15.08 17.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 110.4 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.64 -32.95 20.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.354 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.06 108.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.531 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.673 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 7.7 t70 -70.44 129.54 90.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.77 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 32.2 Cg_exo -59.8 -18.47 49.08 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.266 2.644 . . . . 0.0 112.996 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -76.72 -17.79 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.069 0.462 . . . . 0.0 110.362 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -104.06 -44.65 4.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.365 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 82.7 m-85 -138.18 141.62 40.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.467 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.5 m -90.58 108.26 19.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.058 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -84.16 111.99 20.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.12 106.32 15.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.004 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 7' ' ' PHE . 64.2 mt -89.87 123.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.58 127.71 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -76.99 106.43 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 33.4 tp -76.65 -12.03 59.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.987 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.22 -8.09 75.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.246 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -85.7 -40.85 15.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -116.0 121.59 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.69 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.12 -25.43 34.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.519 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.34 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.991 0.424 . . . . 0.0 110.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.51 -24.06 65.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.505 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 69.9 mt -62.12 -43.16 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.205 0.526 . . . . 0.0 109.665 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.14 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.697 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.36 -42.06 72.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.107 0.479 . . . . 0.0 109.883 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -60.68 -35.25 75.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.168 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.96 -25.0 66.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -82.16 -26.66 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.346 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.65 16.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.804 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.65 24.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.954 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 92.5 t -86.4 125.18 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -123.78 -10.32 7.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.391 . . . . 0.0 110.945 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.469 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 30.2 m -152.41 172.73 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.013 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 m -132.01 144.1 51.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.591 0.234 . . . . 0.0 110.54 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.33 157.6 78.39 Favored 'Cis proline' 0 C--N 1.343 0.288 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.72 -0.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.0 tp -98.99 100.73 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.793 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 38.6 t -90.34 96.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.547 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.0 mt -90.44 98.19 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 65.68 4.31 2.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.906 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.66 -30.62 2.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.065 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.09 114.37 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.53 112.49 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' B' ' 68' ' ' ILE . 83.3 m-85 -106.79 111.01 23.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.183 177.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 53.4 m80 -77.32 108.39 10.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.312 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.426 HD12 ' HE1' ' A' ' 7' ' ' PHE . 62.9 mt -85.35 102.51 11.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.87 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 64.77 102.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.169 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.32 104.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.139 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.84 -60.53 0.97 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.59 162.73 34.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -91.95 166.67 30.08 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.536 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.0 tt -72.44 -17.11 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.582 0.706 . . . . 0.0 109.608 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -80.57 -24.35 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.86 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -69.49 -27.45 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.16 0.505 . . . . 0.0 109.945 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.73 -24.11 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.369 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.07 -21.38 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.77 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.7 131.48 11.48 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.645 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.441 -179.678 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.94 122.64 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.789 0.328 . . . . 0.0 111.668 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -82.9 153.29 25.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' B' ' 6' ' ' ILE . 54.5 pttt -87.23 136.59 32.87 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.284 -175.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.4 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -111.73 121.28 44.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.68 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.53 HD11 ' HE3' ' B' ' 4' ' ' LYS . 36.7 mt -95.69 120.09 44.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.12 0.486 . . . . 0.0 110.863 -171.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -100.23 104.23 15.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.803 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -91.78 122.99 34.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.311 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.818 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.0 p80 -144.1 178.35 7.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.456 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.87 9.56 6.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.655 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.99 -24.59 17.5 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.284 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -51.57 147.74 10.6 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 122.388 0.275 . . . . 0.0 111.174 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.1 -30.03 23.86 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.495 2.797 . . . . 0.0 113.744 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.57 -36.81 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.1 m -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.086 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.57 -42.6 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.868 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -59.67 -47.88 83.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.79 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.653 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.11 -53.19 61.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.98 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -53.23 -51.97 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.659 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -54.57 6.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.0 -37.39 40.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.21 -13.72 61.2 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -96.59 -22.88 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.288 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.31 30.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.034 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -84.34 122.37 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.016 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.5 ' HB2' ' HG3' ' B' ' 30' ' ' LYS . 30.5 m-20 -75.19 131.66 77.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.709 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 36.0 Cg_exo -61.3 -17.15 51.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.812 2.342 . . . . 0.0 111.901 175.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -73.82 -27.2 61.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.64 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.673 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 67.0 mttm -83.84 -49.87 8.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.367 0.603 . . . . 0.0 109.547 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 98.0 m-85 -136.2 132.93 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.72 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -75.63 112.41 11.96 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.47 109.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 0.0 110.479 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.19 103.91 15.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.909 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.71 123.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' B' ' 44' ' ' ARG . 54.3 t -125.66 120.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 110.944 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -92.8 99.31 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.995 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.532 HD12 HG12 ' B' ' 56' ' ' VAL . 51.0 mt -80.91 -1.26 42.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.13 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.85 -3.02 88.3 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.054 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 -55.17 2.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.056 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.14 121.14 37.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.237 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' B' ' 45' ' ' ILE . 89.3 mttt -89.72 -18.84 25.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.506 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -62.65 -48.5 79.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.837 0.351 . . . . 0.0 110.748 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.671 ' HG2' HG11 ' B' ' 36' ' ' VAL . 0.7 OUTLIER -67.98 -26.94 66.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 42' ' ' LYS . 61.8 mt -58.18 -54.41 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.747 0.308 . . . . 0.0 110.797 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.57 77.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.546 ' CD ' HH21 ' B' ' 44' ' ' ARG . 40.3 mt-10 -66.92 -41.31 87.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.31 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.17 90.09 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.1 -42.53 76.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 176.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.65 -18.73 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.77 -30.94 51.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.42 5.68 7.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.43 111.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -90.12 -25.56 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.401 -174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -149.39 156.55 42.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.943 0.401 . . . . 0.0 111.65 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.585 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 9.1 m -79.02 -167.66 0.14 Allowed Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.818 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.9 OUTLIER 12.71 84.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 123.607 2.871 . . . . 0.0 114.544 -135.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.427 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -144.83 147.95 33.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.886 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.4 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 tt -119.43 112.34 19.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 47.2 t -90.89 102.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.217 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.85 95.65 5.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.183 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 45.87 75.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.22 -38.78 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.321 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.79 38.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.052 0.426 . . . . 0.0 111.13 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.54 118.43 30.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.468 . . . . 0.0 111.329 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.53 103.37 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.148 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.59 127.34 32.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.061 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' B' ' 69' ' ' ASN . 47.3 mm -97.73 93.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 68' ' ' ILE . 87.0 m-20 71.14 171.96 0.32 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.127 -168.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -91.06 92.03 8.54 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.21 -96.07 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.462 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.71 132.48 29.09 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.601 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.75 128.26 44.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.559 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.89 -23.76 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.43 0.633 . . . . 0.0 110.407 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -76.92 -32.26 57.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.934 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.12 -21.26 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.906 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.19 -17.12 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.595 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -67.65 -40.57 84.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.108 0.48 . . . . 0.0 109.97 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.76 66.69 1.74 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.796 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.073 177.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.808 0.337 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.97 127.0 47.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.121 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.637 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 19.3 p -84.32 -160.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -120.63 153.66 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.511 0.672 . . . . 0.0 112.296 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.22 116.34 16.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.413 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 13.4 mt -102.77 118.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.607 ' HB3' HG12 ' A' ' 35' ' ' ILE . 64.3 t80 -97.07 114.08 25.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.267 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.422 ' HB3' HD11 ' A' ' 38' ' ' LEU . 89.2 m-85 -101.38 128.64 47.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.349 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -149.12 178.1 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.411 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.74 10.61 9.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.92 -15.43 60.8 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.602 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 44.3 t -57.59 136.25 82.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.434 0.294 . . . . 0.0 110.805 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 78.7 Cg_exo -48.53 -23.91 5.85 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.689 2.926 . . . . 0.0 114.128 -175.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.5 -34.48 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.065 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -77.1 -26.82 53.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.585 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.18 -47.37 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -57.62 -47.42 82.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.205 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.07 91.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.749 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.43 -54.75 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.985 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.4 -20.8 65.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.629 -174.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.19 -65.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.713 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 t -80.27 -50.74 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.78 -171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.45 -26.86 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.943 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -81.14 -24.65 37.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.234 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.64 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.051 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.7 109.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.58 138.09 88.49 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 44.1 Cg_endo -69.0 -3.25 11.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.95 2.434 . . . . 0.0 112.184 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -95.59 -14.29 23.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.11 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -98.14 -39.5 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.294 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 61.8 m-85 -141.72 146.47 36.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.821 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -77.75 98.59 5.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.429 . . . . 0.0 110.383 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -81.52 118.47 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.409 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 32.9 tt0 -124.21 126.91 46.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.607 HG12 ' HB3' ' A' ' 7' ' ' PHE . 64.9 mt -115.21 133.14 62.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.7 124.47 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.882 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -85.83 108.37 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.054 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 8' ' ' TYR . 91.1 mt -87.73 -20.2 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.246 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 34.05 2.39 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.815 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -144.08 -57.87 0.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.023 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.28 118.43 32.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.009 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.41 -30.77 70.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.186 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.1 -27.9 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.931 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -75.6 -21.48 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.921 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.04 -34.33 67.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.078 0.466 . . . . 0.0 109.824 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.24 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.566 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.71 -38.72 87.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.167 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -64.12 -43.72 94.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.654 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.97 -42.32 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.684 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.08 -28.59 68.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.463 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.51 -11.87 53.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.35 20.95 33.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 60.6 t -77.98 111.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.973 0.416 . . . . 0.0 110.098 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.64 -30.22 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.2 m -147.78 166.4 27.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.27 146.78 43.45 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.334 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.36 150.54 51.23 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.292 -1.545 . . . . 0.0 112.932 0.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -135.35 125.95 26.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 tt -102.44 109.33 20.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.5 t -94.85 106.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.5 mt -90.12 99.04 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.637 ' OD1' ' HB2' ' A' ' 3' ' ' SER . 63.8 m-20 65.47 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 111.77 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.86 10.7 4.24 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.65 116.59 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 110.448 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -93.29 117.5 30.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 -176.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.435 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 95.5 m-85 -111.59 104.42 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 75.7 m80 -73.5 115.92 13.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.578 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.1 mt -88.84 95.07 5.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 66.65 -169.3 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.004 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -130.15 106.69 8.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 110.806 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.16 -67.09 0.83 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.574 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.67 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.57 166.02 41.19 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 17.4 tt -66.31 -31.01 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 117.01 0.405 . . . . 0.0 110.754 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 1.2 m-20 -75.36 -22.77 57.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -69.92 -27.62 64.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 109.68 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.19 -26.94 32.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.359 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 75' ' ' ASP . 88.9 mttt -70.04 -58.82 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.95 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.47 -152.77 17.95 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.799 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.431 178.3 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.734 0.302 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.84 140.08 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.06 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.18 161.32 22.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.973 0.416 . . . . 0.0 110.939 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.501 ' HD2' HD11 ' B' ' 6' ' ' ILE . 34.6 ttpt -92.1 133.1 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.774 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.597 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -128.29 112.11 14.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.501 HD11 ' HD2' ' B' ' 4' ' ' LYS . 42.7 mm -99.3 122.45 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.95 0.405 . . . . 0.0 110.947 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.407 ' HD2' HG23 ' B' ' 35' ' ' ILE . 87.8 t80 -99.15 122.29 42.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.771 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -105.76 132.58 51.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.876 0.369 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.854 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 4.7 p80 -144.05 176.64 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.48 16.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.78 -108.4 0.57 Allowed Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 119.828 -1.177 . . . . 0.0 112.198 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HD3' ' B' ' 13' ' ' PRO . 49.9 t -176.08 -55.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.846 -175.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' B' ' 12' ' ' CYS . 75.8 Cg_exo -50.34 -65.02 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 122.5 2.134 . . . . 0.0 113.589 -171.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.71 -24.74 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 110.31 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 25.3 m -66.93 -46.48 74.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.182 -175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.7 t -72.07 -30.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -61.6 -52.4 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.477 . . . . 0.0 109.905 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.75 70.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -67.7 -41.3 83.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -96.46 -2.82 44.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.21 -61.87 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.475 HG11 HD13 ' B' ' 68' ' ' ILE . 56.7 t -70.09 -50.34 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.293 . . . . 0.0 111.085 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -6.71 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.073 0.463 . . . . 0.0 111.041 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -95.04 -27.72 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.328 0.585 . . . . 0.0 109.65 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -78.92 -37.64 39.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.564 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.42 121.54 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.9 t70 -73.33 124.64 90.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.794 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 39.5 Cg_exo -61.75 -23.2 75.88 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.312 2.675 . . . . 0.0 113.451 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -85.87 -10.94 54.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.991 0.424 . . . . 0.0 110.193 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.64 -46.43 6.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -127.8 121.0 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.565 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.67 96.06 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 61.9 t -83.18 118.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.85 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -119.28 124.87 47.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.407 HG23 ' HD2' ' B' ' 7' ' ' PHE . 69.9 mt -94.88 127.62 46.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 -174.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.54 129.06 76.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.518 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -91.04 122.32 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.386 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.31 8.33 35.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.97 29.86 6.65 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.033 -174.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -155.18 -67.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.79 0.295 . . . . 0.0 110.739 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.54 122.65 19.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 45' ' ' ILE . 54.0 mttp -83.02 -25.6 32.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.81 88.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.135 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -75.73 -23.61 56.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.395 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 42' ' ' LYS . 73.0 mt -65.01 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -62.15 -36.55 82.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.617 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.86 -40.94 92.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -55.81 -44.03 77.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.321 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.66 -46.67 67.28 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 26.2 mttm -84.35 -17.97 37.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.956 -171.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.95 -30.25 24.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.011 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.27 -2.0 11.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.372 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.51 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 28.3 t -81.04 105.46 11.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.43 -6.16 19.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 30.2 m -150.37 145.42 26.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.52 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.64 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 11.5 m -77.04 -172.2 0.29 Allowed Pre-proline 0 C--O 1.238 0.461 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.854 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.19 88.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 124.11 3.207 . . . . 0.0 115.241 -137.259 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.94 158.51 44.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.731 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -124.48 121.02 33.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.803 0.335 . . . . 0.0 110.74 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 46.2 t -94.82 101.22 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' B' ' 63' ' ' GLY . 64.3 mt -92.48 109.71 21.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 72.5 -28.54 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.972 0.909 . . . . 0.0 112.084 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 165.17 -23.46 0.15 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.11 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.72 0.295 . . . . 0.0 110.618 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.74 121.17 30.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.59 114.63 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.489 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 61.7 m80 -75.82 130.02 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.475 HD13 HG11 ' B' ' 22' ' ' VAL . 64.2 mt -116.07 102.08 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -174.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 66' ' ' PHE . 60.8 m-20 60.11 98.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.917 0.76 . . . . 0.0 109.455 -170.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.93 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.222 0.951 . . . . 0.0 111.968 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.57 -90.07 0.32 Allowed Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.209 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.555 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.65 121.2 15.18 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.474 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.17 158.1 53.51 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.27 -41.35 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.735 0.302 . . . . 0.0 110.622 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -29.32 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.455 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -76.91 -44.5 31.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.9 mt -72.69 -31.85 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.87 -48.28 22.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.686 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.55 -60.06 3.69 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.876 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.427 175.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.759 0.314 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -104.41 61.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.156 0.503 . . . . 0.0 109.923 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -87.95 -179.83 6.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.794 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HE2' HG12 ' A' ' 6' ' ' ILE . 85.8 tttt -82.66 134.57 35.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.315 0.579 . . . . 0.0 111.636 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -120.94 110.49 16.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.093 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.739 HG12 ' HE2' ' A' ' 4' ' ' LYS . 1.4 mt -99.39 114.19 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.635 0.255 . . . . 0.0 110.893 -172.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' ILE . 50.0 t80 -100.72 108.61 20.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 0.0 110.599 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -100.4 126.41 46.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.106 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 p80 -150.94 -177.48 6.03 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.875 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.85 17.4 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.74 15.0 81.45 Favored Glycine 0 C--O 1.231 -0.08 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.033 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -74.81 154.69 87.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.64 -34.37 73.35 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.883 2.388 . . . . 0.0 112.126 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.436 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 17.2 m -69.33 -34.59 74.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.396 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.16 -47.68 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.569 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t -59.8 -44.01 94.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.244 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 33.0 tt0 -67.16 -49.69 63.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -77.44 -9.81 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 -57.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.94 -47.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.743 0.306 . . . . 0.0 110.726 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -75.54 -3.09 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.285 0.564 . . . . 0.0 110.649 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -88.97 -34.91 16.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 26' ' ' ILE . . . -75.35 -33.9 61.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.509 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.28 94.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.662 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 39.5 m-20 -60.79 138.27 93.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.505 -176.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 23.6 Cg_exo -65.05 -15.73 51.86 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.995 2.463 . . . . 0.0 112.037 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 m -89.22 -19.51 25.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.344 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 57.1 tttp -88.35 -42.01 12.48 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 72.8 m-85 -134.06 146.65 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.921 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -82.79 91.49 7.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.076 0.465 . . . . 0.0 110.256 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 42.7 t -83.91 116.0 27.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.387 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 7' ' ' PHE . 63.5 mt -99.13 126.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.664 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.08 130.23 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.298 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -95.04 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.06 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.28 -19.02 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.5 5.23 84.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.2 m -103.12 -28.67 11.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.681 0.276 . . . . 0.0 111.256 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' OD2' ' HG2' ' A' ' 44' ' ' ARG . 27.1 t70 -136.88 148.6 47.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 0.0 111.752 -172.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.6 -39.19 24.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.669 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.65 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.271 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG2' ' OD2' ' A' ' 41' ' ' ASP . 32.1 mmt180 -58.22 -30.33 66.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.568 178.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.17 -44.01 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.122 0.487 . . . . 0.0 110.256 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.26 75.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -73.65 -39.56 64.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.433 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.0 -42.32 98.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.484 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.99 -22.78 66.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.311 . . . . 0.0 111.171 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -82.78 -41.17 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.15 86.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.027 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.96 3.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.578 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 51.7 t -87.8 105.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.94 -21.1 15.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m -144.56 167.53 22.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.363 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.37 143.91 46.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.8 0.333 . . . . 0.0 110.726 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -86.35 154.01 50.1 Favored 'Cis proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.24 -1.567 . . . . 0.0 112.929 -1.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -134.32 130.59 37.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.761 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 61' ' ' ILE . 1.5 tt -111.61 111.67 22.83 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 44.2 t -85.26 95.96 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.898 178.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.516 HG12 HD22 ' A' ' 59' ' ' LEU . 57.7 mt -90.55 114.04 27.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 72.02 -14.66 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.702 0.626 . . . . 0.0 111.758 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.84 -19.86 2.36 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.153 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.69 132.11 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.607 0.242 . . . . 0.0 110.558 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -87.29 126.66 34.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.002 0.43 . . . . 0.0 111.508 -176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.49 109.69 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.534 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.0 m80 -74.15 121.8 21.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.746 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.17 100.62 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 68.0 108.26 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.799 0.687 . . . . 0.0 110.769 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.26 94.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.7 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.95 -71.21 1.26 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.691 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.3 47.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.586 0.231 . . . . 0.0 110.793 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.61 141.87 16.36 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.483 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.1 tt -69.41 -23.56 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.222 0.535 . . . . 0.0 110.516 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.709 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 27.7 t70 -67.85 -26.03 65.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.585 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -78.1 -17.13 57.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.573 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.13 6.55 25.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 94.0 mttt -90.78 -16.0 29.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.34 173.25 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.62 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.297 179.165 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' B' ' 31' ' ' TYR . . . -145.9 -50.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.617 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' B' ' 32' ' ' THR . 50.5 m 56.42 -157.81 0.26 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -134.23 126.48 29.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.418 0.628 . . . . 0.0 111.205 177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -118.55 100.62 7.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.152 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 48.2 mt -99.04 119.86 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.463 . . . . 0.0 111.378 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -98.44 120.46 38.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.924 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -105.01 130.87 53.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.457 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 5.0 p80 -159.56 179.85 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.904 0.383 . . . . 0.0 111.117 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.67 24.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.24 23.0 64.1 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.879 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.53 ' O ' HG23 ' B' ' 16' ' ' VAL . 14.3 m -77.58 147.27 74.76 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.25 -29.46 57.27 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.651 2.234 . . . . 0.0 112.414 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.53 -51.08 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.278 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 6.4 p -75.57 -20.63 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.308 -176.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.606 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 88.5 t -59.87 -53.23 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.0 m -61.06 -35.34 76.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.741 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 30.4 tt0 -68.91 -30.91 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 67.2 mt-30 -83.15 -20.33 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.536 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 -61.51 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.925 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.59 HG11 HD13 ' B' ' 68' ' ' ILE . 40.0 t -66.57 -40.32 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.666 0.27 . . . . 0.0 111.003 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -73.62 -8.38 55.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.333 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.406 ' HA ' HD22 ' B' ' 24' ' ' ASN . 11.5 m120 -105.99 -9.09 17.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.441 173.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -84.85 -44.93 12.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 25' ' ' ALA . 71.6 mt -78.85 106.89 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 14.5 t70 -58.85 122.82 64.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -173.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 27.4 Cg_exo -63.03 -17.51 60.57 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.261 2.641 . . . . 0.0 113.167 -176.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -103.09 -7.22 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.407 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 45.3 tttp -88.72 -37.82 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.369 175.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' B' ' 2' ' ' ALA . 59.3 m-85 -135.72 140.06 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.775 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 3' ' ' SER . 54.8 m -70.45 95.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.0 110.353 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -80.4 114.9 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 5.9 tp10 -119.47 124.48 46.6 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.6 124.49 63.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.905 0.383 . . . . 0.0 111.312 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -107.67 123.84 63.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.83 119.99 39.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.007 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.9 mt -71.53 -15.0 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -20.95 76.96 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.659 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -83.05 -59.69 2.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.602 ' HB2' ' HG2' ' B' ' 44' ' ' ARG . 56.6 m-20 -124.22 117.63 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.061 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.85 -16.06 62.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.212 0.53 . . . . 0.0 109.96 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.93 65.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.602 ' HG2' ' HB2' ' B' ' 41' ' ' ASP . 42.8 mmt180 -70.81 -13.59 62.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.297 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 73.0 mt -61.01 -51.25 75.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.635 0.255 . . . . 0.0 110.817 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.02 74.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.148 0.499 . . . . 0.0 110.785 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.551 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 48.1 mt-10 -67.15 -42.12 84.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.374 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.25 86.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.672 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 45' ' ' ILE . 38.7 mt-10 -62.89 -35.98 81.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.643 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -67.64 -30.83 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.097 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 -6.15 50.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 111.36 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.72 17.89 43.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.116 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 93.6 t -85.92 118.84 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.437 ' O ' HG22 ' B' ' 74' ' ' ILE . 97.2 mttt -101.63 -18.84 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.7 m -144.69 146.16 32.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.631 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.12 -171.49 0.22 Allowed Pre-proline 0 C--O 1.237 0.416 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.631 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.2 Cg_exo 14.53 88.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.33 0 C-N-CA 124.289 3.326 . . . . 0.0 115.561 -136.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.56 155.48 39.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.802 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.4 tt -127.16 128.7 46.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.028 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -103.87 113.11 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -90.75 105.98 16.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 62.29 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.832 0.707 . . . . 0.0 111.21 -174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.71 10.05 4.28 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.113 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.64 119.08 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.768 0.318 . . . . 0.0 110.406 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.09 117.35 29.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -114.75 107.19 15.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.566 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 63.7 m80 -72.37 116.66 13.07 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.59 HD13 HG11 ' B' ' 22' ' ' VAL . 61.9 mt -100.36 99.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -172.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.31 100.27 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.982 0.802 . . . . 0.0 109.333 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -39.64 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 124.337 1.023 . . . . 0.0 111.892 -173.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.02 -94.79 0.25 Allowed Glycine 0 N--CA 1.438 -1.173 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.739 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.68 150.25 44.66 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.398 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.423 ' HA3' ' OD1' ' B' ' 76' ' ' ASP . . . -63.85 127.62 36.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.599 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 54' ' ' LYS . 13.4 tt -73.14 -27.18 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.102 0.477 . . . . 0.0 110.511 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.42 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 18.0 t70 -80.19 -22.34 42.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.505 0.669 . . . . 0.0 109.463 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.423 ' OD1' ' HA3' ' B' ' 73' ' ' GLY . 4.5 m-20 -72.42 -30.17 64.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.346 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.85 -16.01 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 94.3 mttt -73.18 97.24 2.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.08 -64.84 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.004 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.589 179.187 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.676 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -101.66 79.95 1.99 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.291 0.567 . . . . 0.0 109.69 175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.428 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 68.9 m -84.99 177.65 7.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.681 -174.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -104.83 128.0 52.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.933 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -119.62 117.61 28.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.225 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.91 114.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.097 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -100.33 106.48 18.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.665 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -92.78 129.74 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.224 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.719 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 27.4 p80 -155.42 173.28 16.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.865 173.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.22 -8.21 13.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.9 -7.25 57.23 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.635 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HG ' ' HG ' ' A' ' 15' ' ' CYS . 23.0 p -65.45 159.3 68.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.143 0.471 . . . . 0.0 110.568 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.99 -41.02 26.21 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.364 2.709 . . . . 0.0 113.422 -177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.65 -38.44 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 110.779 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 67.2 m -71.65 -39.81 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.71 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.939 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 110.82 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.93 77.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.51 -46.8 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.838 -176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.63 -69.49 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.828 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.83 -48.82 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.497 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.14 -3.44 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 111.581 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -103.4 -27.54 12.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 0.0 109.774 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.13 55.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -73.19 131.73 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.33 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 12.5 t70 -66.37 123.63 85.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.507 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.15 -25.81 81.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.176 2.584 . . . . 0.0 113.516 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.4 m -93.72 -16.23 24.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 110.619 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 88.2 tttt -85.34 -33.67 22.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.999 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 3' ' ' SER . 24.0 m-85 -137.1 125.25 23.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.45 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -74.83 93.52 2.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -92.72 108.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -175.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -106.25 127.88 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.9 mt -96.62 134.37 34.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.71 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.0 t -118.52 115.06 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.987 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -92.18 106.29 18.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.821 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.56 -16.02 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.396 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.73 -12.21 83.07 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.546 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.0 m -83.29 -44.94 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' HB3' ' HG3' ' A' ' 44' ' ' ARG . 16.6 t0 -139.18 132.04 29.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -77.19 -23.93 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.327 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.46 64.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.908 0.385 . . . . 0.0 110.691 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 9.8 mtp180 -75.05 -17.71 60.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.552 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.2 -38.16 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.122 0.487 . . . . 0.0 109.926 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -63.56 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.131 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 45.4 mt-10 -62.04 -33.05 73.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.717 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.96 -46.62 86.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.407 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.32 -34.02 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.953 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 65.1 mttm -64.97 -39.44 93.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.544 178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.09 -19.82 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.284 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.43 24.05 8.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.544 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -85.32 114.55 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -98.2 -22.19 16.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.238 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -146.28 163.02 36.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.28 144.61 36.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.684 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 93.2 Cg_endo -85.91 156.66 57.03 Favored 'Cis proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.195 -1.585 . . . . 0.0 112.991 -0.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -137.5 131.0 31.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.3 tt -103.51 107.5 18.37 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -89.91 107.86 18.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.213 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -103.75 107.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.27 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.14 29.41 16.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.693 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.62 -19.01 37.05 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.67 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.67 111.72 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.456 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.39 107.43 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.056 0.455 . . . . 0.0 111.033 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.98 102.3 14.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.083 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 71.2 m80 -69.57 129.04 38.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.659 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' B' ' 66' ' ' PHE . 53.2 mt -108.6 97.09 5.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 69.12 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.877 0.736 . . . . 0.0 111.016 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -68.65 95.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.34 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.45 -65.07 1.11 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.648 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.53 137.76 35.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.549 0.214 . . . . 0.0 110.673 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.43 149.41 30.45 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.449 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.43 -28.1 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.28 0.562 . . . . 0.0 110.391 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.28 -33.28 74.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.949 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.57 -17.98 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.804 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.88 -23.17 42.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.0 163.59 22.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.29 -56.13 0.58 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.638 -177.359 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.308 0.575 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.36 90.89 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.118 0.485 . . . . 0.0 111.508 -176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.95 168.15 11.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -96.86 131.56 43.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.221 0.534 . . . . 0.0 111.583 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' B' ' 33' ' ' VAL . . . -124.8 136.23 53.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.507 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.31 125.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 110.558 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HD2' HG23 ' B' ' 35' ' ' ILE . 77.3 t80 -100.71 117.07 34.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.034 177.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.72 129.22 44.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.812 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 10.4 p80 -136.72 173.12 12.05 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.77 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.7 18.55 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.69 64.52 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.09 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 47.5 m -135.54 161.97 59.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 12.6 Cg_endo -57.04 -33.35 95.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.649 2.233 . . . . 0.0 112.152 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.41 -37.68 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 24.7 m -62.97 -50.38 70.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.644 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.55 -46.07 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -61.81 -48.53 80.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.935 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.8 78.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.426 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 37.7 tt0 -67.6 -53.71 25.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -77.9 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.82 -63.37 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 111.543 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.29 -46.61 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.578 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -68.23 -32.23 72.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.685 0.279 . . . . 0.0 110.996 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.29 -24.85 54.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.58 88.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.323 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.7 mt -78.64 114.45 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.624 ' HB2' ' HB2' ' B' ' 30' ' ' LYS . 36.5 m-20 -62.91 128.82 92.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.891 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 27' ' ' ASP . 24.3 Cg_exo -64.37 -19.17 65.23 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.817 2.345 . . . . 0.0 111.701 177.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.53 0.57 57.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.811 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 42.1 tttp -107.56 -48.3 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.46 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.79 157.26 44.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.902 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -96.6 99.67 11.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' B' ' 5' ' ' ALA . 48.6 t -104.83 125.7 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -117.83 144.31 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.918 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.578 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.4 mt -115.11 127.15 72.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.49 130.58 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.285 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -80.81 123.05 27.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -119.86 7.91 11.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.257 0.551 . . . . 0.0 110.651 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.93 29.96 6.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.732 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -155.23 -45.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.801 0.334 . . . . 0.0 110.839 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.413 ' OD1' ' HG3' ' B' ' 44' ' ' ARG . 13.9 t70 -85.78 113.27 21.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.967 0.413 . . . . 0.0 110.564 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.7 6.31 42.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.765 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.87 -42.42 10.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 0.0 110.236 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.413 ' HG3' ' OD1' ' B' ' 41' ' ' ASP . 66.4 mtp180 -75.58 -3.93 37.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.016 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.34 -30.29 47.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.01 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.8 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.742 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.18 -47.52 85.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.206 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.18 -40.13 95.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.637 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -60.85 -37.45 82.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.294 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.19 -44.63 14.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.447 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.28 29.92 0.82 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.181 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 13.3 t -95.32 135.17 30.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -122.32 -18.06 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.879 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 27.7 m -136.88 144.82 43.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.522 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.632 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 4.3 m -88.63 -163.02 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.003 -0.522 . . . . 0.0 109.697 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.812 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 8.6 Cg_exo 11.41 85.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.345 2.697 . . . . 0.0 114.313 -137.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.58 155.95 40.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 113.589 -1.641 . . . . 0.0 110.018 -177.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.9 tp -111.31 111.94 23.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.009 0.433 . . . . 0.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -97.95 102.97 14.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -96.66 111.95 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 -177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.9 t70 65.03 8.41 4.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.702 175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.56 -14.51 10.75 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.4 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.01 23.51 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.32 108.05 15.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.381 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.5 m-85 -100.56 97.87 8.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 109.882 176.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 53.2 m80 -71.21 125.53 27.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.112 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.43 112.15 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.747 0.308 . . . . 0.0 111.155 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 94.1 m-20 61.87 -89.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.444 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 179.77 91.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.864 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.6 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -80.37 -91.23 0.48 Allowed Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.85 -174.93 4.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.879 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -137.65 177.47 19.87 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.942 -1.123 . . . . 0.0 112.421 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.52 -32.47 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.4 -39.24 60.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.128 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.92 -49.82 16.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 0.0 110.713 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.14 -35.12 71.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.932 -173.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -85.36 -23.68 27.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.42 -69.12 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.863 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.514 -179.497 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.75 91.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.848 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 p -89.48 -91.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -175.42 141.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.816 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' VAL . . . -132.53 107.72 8.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.694 176.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 26.3 mt -95.48 137.01 24.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -122.38 97.26 5.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.808 0.337 . . . . 0.0 110.743 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.63 125.76 33.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.752 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 15.4 p80 -143.9 -179.2 6.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.476 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 56' ' ' VAL . . . -122.43 10.88 9.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' HA3' ' HE2' ' A' ' 37' ' ' HIS . . . 67.89 65.68 2.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.679 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.8 p -139.48 163.9 42.17 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 4.9 Cg_endo -48.01 -41.16 33.47 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.131 2.554 . . . . 0.0 112.925 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.39 -36.46 69.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.841 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.752 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 60.8 m -69.12 -38.86 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.7 t -65.8 -39.0 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -58.45 -49.4 77.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 29.6 tt0 -66.56 -49.52 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.039 179.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -84.44 -4.11 58.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.69 -68.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.823 0.344 . . . . 0.0 111.346 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.4 -52.22 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.937 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.19 -0.49 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.19 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -93.36 -32.95 14.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.353 0.597 . . . . 0.0 109.539 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.06 56.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.471 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.2 mt -71.91 95.35 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.529 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.703 ' HB2' ' HE3' ' B' ' 30' ' ' LYS . 14.7 t70 -63.85 132.45 95.24 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.907 -176.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.28 -9.36 25.63 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.09 2.527 . . . . 0.0 113.347 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 t -104.15 -5.31 22.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.189 0.519 . . . . 0.0 109.663 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 49.6 tttp -93.26 -41.87 9.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.311 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.06 142.75 30.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.852 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -68.55 99.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.577 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' ALA . 46.5 t -80.73 117.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.39 96.5 5.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -84.89 127.28 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.986 0.422 . . . . 0.0 110.796 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.19 117.4 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 63.8 t-80 -84.01 83.03 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.45 -12.17 60.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.49 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.68 95.48 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.018 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 t -109.77 -16.21 13.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.805 0.336 . . . . 0.0 110.699 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' HIS . 0.8 OUTLIER -85.4 43.75 1.04 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 109.561 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.07 -26.45 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.706 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -19.46 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.0 111.407 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 ttp180 -100.68 15.3 28.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.447 0.641 . . . . 0.0 110.445 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.546 HG13 HD11 ' A' ' 74' ' ' ILE . 17.0 tt -58.23 -28.9 36.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.452 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.0 74.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.206 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' OE1' ' HD2' ' A' ' 44' ' ' ARG . 34.1 tt0 -75.58 -36.89 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.007 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -58.55 -40.09 82.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.555 177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.85 -37.37 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.166 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.94 -24.35 24.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.288 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.19 -31.63 43.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.003 0.43 . . . . 0.0 110.459 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.87 28.95 5.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.087 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 59.0 t -87.59 103.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.921 0.391 . . . . 0.0 110.25 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.97 -19.69 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.641 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.7 m -149.74 166.51 29.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 10' ' ' ALA . 21.5 m -128.74 147.24 63.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.345 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 73.1 Cg_endo -77.9 154.0 93.81 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.049 -1.646 . . . . 0.0 112.981 -0.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.62 129.71 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.828 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 tp -101.57 107.17 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.193 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 46.1 t -98.7 99.03 7.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.196 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 63' ' ' GLY . 63.8 mt -94.42 113.99 30.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.416 -178.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.77 -27.53 0.16 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.861 0.864 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 156.76 -14.96 0.35 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.291 -0.481 . . . . 0.0 112.188 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' VAL . . . -89.97 133.75 34.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.582 0.229 . . . . 0.0 110.405 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.32 115.47 27.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 0.0 111.963 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -115.02 105.18 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.584 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.4 m80 -71.94 145.56 48.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.404 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.569 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 48.8 mm -109.21 102.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 63.17 -163.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 110.043 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -135.52 94.04 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.044 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.42 -62.11 1.35 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.174 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 144.12 38.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.64 146.91 18.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.383 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.546 HD11 HG13 ' A' ' 45' ' ' ILE . 14.0 tt -65.49 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.209 0.528 . . . . 0.0 110.032 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.93 -33.74 72.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.192 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.36 -33.56 73.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.79 -22.78 56.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 74' ' ' ILE . 99.4 mttt -76.05 95.56 3.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.33 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.95 -173.84 55.01 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.83 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.248 1.014 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.31 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.861 0.362 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.07 83.77 7.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.035 0.445 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -62.84 155.71 26.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' B' ' 6' ' ' ILE . 38.8 ttpt -75.18 117.32 16.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.41 . . . . 0.0 111.027 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -108.32 106.98 17.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.6 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.532 HD11 ' HE3' ' B' ' 4' ' ' LYS . 42.1 mt -95.87 115.72 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.175 0.512 . . . . 0.0 110.791 -174.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.547 ' HE1' HD12 ' B' ' 68' ' ' ILE . 49.8 t80 -94.69 103.73 15.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.951 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -96.89 113.21 24.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.462 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.46 ' ND1' ' HB3' ' B' ' 15' ' ' CYS . 5.7 p80 -133.78 153.69 51.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.501 ' H ' ' HD3' ' B' ' 57' ' ' PRO . . . -161.35 77.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.364 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' B' ' 12' ' ' CYS . . . -172.54 -105.72 0.19 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.582 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 8.8 m -172.41 -64.41 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 123.039 0.536 . . . . 0.0 111.513 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 23.9 Cg_exo -61.93 -62.84 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.134 1.889 . . . . 0.0 113.22 -169.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.71 -24.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.441 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 35.1 m -66.93 -51.82 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.678 -173.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 66.1 t -59.34 -52.0 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.089 -177.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -64.96 -37.39 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.884 -177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.565 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -69.57 -40.34 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.544 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 92.9 mt-30 -76.61 -12.69 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 -67.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.708 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.36 -45.75 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.65 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -96.7 -31.94 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.76 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.37 86.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.573 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 1.6 p30 -97.04 163.66 19.53 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.058 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' HB2' ' B' ' 27' ' ' ASP . 9.4 Cg_endo -53.25 -14.23 4.03 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.724 2.95 . . . . 0.0 115.197 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 -4.8 56.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.315 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' HB2' ' A' ' 27' ' ' ASP . 74.9 mmtt -114.02 -50.56 2.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 177.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 79.5 m-85 -139.82 169.46 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.763 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 28.8 m -89.18 98.61 11.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.62 116.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.343 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 6.5 mm-40 -115.62 98.09 6.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' B' ' 7' ' ' PHE . 70.0 mt -89.36 121.08 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.414 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.19 120.49 58.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.352 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -81.13 117.54 21.78 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 10' ' ' ALA . 36.3 tp -85.57 -13.0 50.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.908 -174.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.58 53.14 2.37 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.911 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -149.87 -53.98 0.16 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.036 0.446 . . . . 0.0 110.114 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.69 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 tttp -75.69 -17.78 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.48 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.5 -17.63 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.43 -19.3 65.45 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.03 -33.18 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.959 -173.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.88 84.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.198 0.523 . . . . 0.0 110.948 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.63 -30.72 57.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.998 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.41 99.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.471 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.0 -39.75 90.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.36 -43.88 84.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.712 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.269 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.54 18.83 10.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.314 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.1 t -83.32 88.87 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.949 0.404 . . . . 0.0 109.919 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.405 ' O ' HG22 ' B' ' 74' ' ' ILE . 86.6 tttt -84.21 -31.62 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.588 0.709 . . . . 0.0 109.873 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.547 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 16.6 m -122.72 138.88 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.062 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' B' ' 72' ' ' ALA . 1.3 t -80.21 -156.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.62 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 7.9 Cg_exo 1.94 89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.973 2.448 . . . . 0.0 115.031 -139.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -144.11 159.97 41.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.6 tt -117.16 114.55 23.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 0.0 110.153 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 37.2 t -93.18 99.51 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.421 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.46 104.59 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.6 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 69.42 -7.95 0.79 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.552 0.741 . . . . 0.0 111.965 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.05 -23.96 2.25 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.94 112.06 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 110.336 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -84.03 109.47 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.309 -178.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.93 112.49 24.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.794 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -73.58 129.67 38.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.542 -177.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.547 HD12 ' HE1' ' B' ' 7' ' ' PHE . 58.4 mt -99.44 98.87 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 62.77 -169.82 0.18 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.147 -170.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -90.63 85.73 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 -81.86 0.12 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.887 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.748 ' HB3' ' HB ' ' B' ' 56' ' ' VAL . . . -139.46 175.74 9.31 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.624 175.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.78 127.57 8.49 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.232 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.405 HG22 ' O ' ' B' ' 54' ' ' LYS . 14.6 tt -68.65 -31.86 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.386 0.593 . . . . 0.0 110.545 -177.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.547 ' HA ' ' HE3' ' B' ' 78' ' ' LYS . 8.1 t70 -75.92 -23.45 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.51 . . . . 0.0 109.727 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.41 -35.13 77.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.613 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.08 6.38 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.735 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' B' ' 75' ' ' ASP . 99.7 mttt -75.83 -45.75 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.817 0.342 . . . . 0.0 110.334 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.46 158.16 23.46 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 173.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.859 -177.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.658 ' HA ' ' O ' ' A' ' 28' ' ' PRO . 28.1 m . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.16 -70.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 111.64 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 32' ' ' THR . 3.0 p -99.66 163.42 12.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.369 . . . . 0.0 111.717 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG3' ' OE2' ' A' ' 34' ' ' GLU . 23.2 ttmm -96.15 131.01 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.74 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.63 100.57 4.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.931 HG13 ' HB ' ' A' ' 60' ' ' VAL . 3.6 pt -95.47 125.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.231 0.539 . . . . 0.0 111.312 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' HE1' HD12 ' A' ' 68' ' ' ILE . 76.2 t80 -109.86 110.43 21.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.397 -175.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 6' ' ' ILE . 61.0 m-85 -100.91 140.08 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.648 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 23.6 p80 -162.07 179.23 8.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.707 0.289 . . . . 0.0 110.827 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -121.81 17.57 11.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.84 55.03 4.64 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.307 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.46 154.9 39.59 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -52.95 -40.07 77.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.8 t -61.56 -34.03 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 21.2 m -65.4 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.557 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.52 -44.86 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 m -65.05 -40.24 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.35 77.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 111.03 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.56 -47.28 64.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.061 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -79.35 -15.17 58.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.694 -174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 -68.8 0.9 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.06 -53.11 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.708 0.289 . . . . 0.0 111.403 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 33' ' ' VAL . . . -75.81 3.52 9.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.061 0.457 . . . . 0.0 111.489 -177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -110.62 -26.52 9.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.964 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.92 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.586 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -66.87 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.762 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 10.7 t70 -92.27 132.84 31.16 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.658 ' O ' ' HA ' ' A' ' 1' ' ' VAL . 52.9 Cg_exo -55.47 -29.85 70.91 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.128 2.552 . . . . 0.0 113.264 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -67.49 -29.86 69.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -79.58 -73.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.313 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 67.5 m-85 -121.95 139.42 53.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.199 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' SER . 6.5 t -92.3 114.74 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.07 0.462 . . . . 0.0 109.812 175.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' HB1' ' A' ' 23' ' ' ALA . 46.2 t -80.83 105.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 6' ' ' ILE . 38.8 mt-10 -103.31 102.64 12.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.043 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.71 128.01 39.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.58 120.2 57.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.713 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -85.68 122.76 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.844 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -81.52 -6.22 58.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.84 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.48 40.6 2.7 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.617 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.4 -60.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.868 0.366 . . . . 0.0 111.195 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -120.18 135.11 55.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 -173.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.33 -27.97 52.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.027 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.95 -36.0 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.908 0.385 . . . . 0.0 110.417 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 43.2 mtp180 -72.75 -11.24 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.402 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 71.1 mt -66.22 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 171.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.06 -29.24 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 33.0 tt0 -63.18 -43.37 98.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.801 175.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.08 -38.64 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.728 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 40.2 mt-10 -63.22 -37.94 89.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.7 -39.26 87.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -35.35 80.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.892 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.45 7.79 11.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.286 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 69.1 t -65.53 123.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.431 . . . . 0.0 110.641 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -122.46 -12.76 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.68 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.482 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 4.8 p -156.52 169.61 24.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.983 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.55 144.09 45.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.671 0.272 . . . . 0.0 110.668 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -83.97 154.21 67.54 Favored 'Cis proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.013 -1.661 . . . . 0.0 112.915 -1.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -130.4 130.55 44.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.376 -177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.4 tp -105.3 104.61 14.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.853 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.931 ' HB ' HG13 ' A' ' 6' ' ' ILE . 44.1 t -92.17 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.211 0.529 . . . . 0.0 110.223 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -93.32 114.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.283 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 t70 70.92 -45.01 0.6 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.879 0.737 . . . . 0.0 112.203 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.09 -23.08 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.267 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.57 139.21 30.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.58 0.229 . . . . 0.0 110.421 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -97.63 116.91 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -176.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.55 105.1 13.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.839 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.6 m80 -72.49 143.78 48.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' B' ' 66' ' ' PHE . 58.3 mt -117.74 95.25 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.579 0.228 . . . . 0.0 110.448 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.97 103.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.18 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -63.31 108.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.976 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.37 -55.7 0.8 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.419 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.31 165.16 27.93 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -103.85 166.28 15.66 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.752 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.7 tt -67.61 -27.57 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 0.0 110.013 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 5.9 m-20 -64.45 -26.17 68.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.23 -36.58 84.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.559 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 10' ' ' ALA . 89.9 mt -93.61 -22.5 18.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.275 0.56 . . . . 0.0 110.518 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 50.8 tttm -77.91 -28.85 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.731 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.23 -58.19 5.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.333 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.615 178.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' B' ' 30' ' ' LYS . . . -149.46 -76.1 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.271 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -100.65 179.92 4.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.05 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' B' ' 6' ' ' ILE . 22.4 ttmm -112.3 133.32 54.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.321 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.12 100.47 4.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.145 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' B' ' 4' ' ' LYS . 43.7 mt -95.46 136.42 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.566 -175.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' B' ' 68' ' ' ILE . 68.7 t80 -118.52 116.78 27.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -105.75 130.04 53.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.729 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 14.6 p80 -155.7 164.04 39.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.734 175.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.28 13.05 10.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.846 0.355 . . . . 0.0 111.138 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.64 98.37 1.41 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.734 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 p -171.0 155.94 4.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.46 -27.76 41.54 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.093 2.529 . . . . 0.0 113.035 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.61 -50.98 75.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.632 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 18.5 p -77.1 -24.57 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.416 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.54 -54.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.6 m -66.99 -35.1 79.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.9 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.0 tt0 -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.456 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.56 -39.84 95.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.594 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.09 -63.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.02 -43.68 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.754 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -72.47 -10.13 59.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.453 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -105.77 -7.16 18.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -81.78 -38.08 26.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -83.65 134.41 27.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.6 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.92 126.07 66.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.668 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 25.1 Cg_endo -61.92 -17.78 57.51 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.459 2.772 . . . . 0.0 113.532 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.1 t -67.5 -25.75 66.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 0.0 110.135 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' B' ' 2' ' ' ALA . 45.7 mtmt -107.29 -34.02 7.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.439 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 51.4 m-85 -130.69 127.55 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.3 -0.25 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -86.75 121.68 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.64 104.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.544 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.15 94.48 6.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.005 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.508 HG12 ' HB3' ' B' ' 7' ' ' PHE . 71.8 mt -85.87 121.03 36.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.44 124.2 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.385 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -89.71 108.49 19.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.551 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.449 HD12 HG12 ' B' ' 56' ' ' VAL . 93.6 mt -80.12 -6.28 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.345 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.42 -34.9 15.45 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 95.1 m -74.08 -44.2 54.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.478 . . . . 0.0 110.412 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 11.7 t70 -125.16 104.15 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.64 4.71 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 109.612 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HG2' ' OD1' ' B' ' 41' ' ' ASP . 28.4 mmm180 -65.07 -19.74 66.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.776 175.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.8 -36.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.336 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -63.28 -37.43 87.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.411 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.42 -46.18 87.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.108 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -61.67 -37.58 84.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.652 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.89 -37.72 88.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.057 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 83.4 mttt -59.54 -53.02 62.95 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 110.487 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.84 89.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.25 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.71 34.41 0.86 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.462 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 58.1 t -79.33 115.88 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.8 -31.37 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.446 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.5 m -146.56 150.88 36.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.855 0.36 . . . . 0.0 111.444 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' B' ' 57' ' ' PRO . 12.0 m -79.96 -162.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.518 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.271 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.729 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.2 Cg_exo 11.14 86.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 123.68 2.92 . . . . 0.0 114.88 -136.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -145.2 154.77 42.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 113.782 -1.554 . . . . 0.0 109.608 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' B' ' 68' ' ' ILE . 56.4 tp -113.6 121.53 44.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.872 0.368 . . . . 0.0 110.618 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.451 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 47.2 t -98.96 103.2 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.034 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -92.74 107.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.451 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 t70 66.15 -65.99 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.187 0.929 . . . . 0.0 112.036 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.08 11.31 0.49 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.302 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.1 55.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.777 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.64 119.77 32.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.05 0.452 . . . . 0.0 111.324 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.481 ' HB3' HG23 ' A' ' 68' ' ' ILE . 93.9 m-85 -116.6 103.66 10.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.009 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.452 ' HA ' ' CB ' ' B' ' 58' ' ' ALA . 74.6 m80 -68.06 123.41 20.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.173 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.578 HD12 ' HE1' ' B' ' 7' ' ' PHE . 54.9 mt -92.4 101.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 61.43 -160.48 0.3 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -170.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.0 98.67 8.34 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -94.65 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.167 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.632 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.92 128.9 23.51 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.244 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.6 137.4 46.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.475 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.2 tt -67.83 -25.51 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 117.261 0.531 . . . . 0.0 110.197 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -36.51 71.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.276 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.39 -27.61 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.744 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.37 -58.37 2.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.192 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.06 -38.09 66.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.393 -174.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.67 54.78 2.15 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.396 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.368 -178.069 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.27 0.557 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -100.14 141.34 33.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -66.83 145.38 55.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.291 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 32' ' ' THR . 21.7 pttp -86.39 120.24 27.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.53 0.681 . . . . 0.0 111.111 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -85.7 114.62 22.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.38 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 6.3 mt -95.2 118.21 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.931 0.396 . . . . 0.0 110.889 -173.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.32 102.56 14.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.739 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -92.26 124.47 36.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p80 -149.02 170.8 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 175.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.33 18.7 9.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.648 0.261 . . . . 0.0 111.567 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.62 61.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.82 143.07 77.61 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.56 -26.26 21.82 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.907 2.404 . . . . 0.0 112.77 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.39 -38.99 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.526 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.574 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 30.3 p -75.78 -19.31 59.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.507 -172.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.47 -45.02 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 110.129 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -65.42 -44.79 86.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.64 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.321 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.12 -53.16 49.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.79 1.13 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.47 -67.76 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.3 -51.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.115 -175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.76 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 111.153 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -87.11 -35.96 18.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -35.1 77.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.706 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -81.43 92.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.54 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.9 OUTLIER -86.16 165.03 36.13 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.697 -178.359 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD2' ' HB2' ' A' ' 27' ' ' ASP . 11.5 Cg_endo -55.97 -21.98 36.48 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.104 2.536 . . . . 0.0 114.22 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.5 t -80.84 -14.99 57.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.193 0.521 . . . . 0.0 110.139 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' B' ' 25' ' ' ALA . 50.2 tptt -92.29 -59.35 2.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 66.2 m-85 -149.1 164.42 34.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.623 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 28.7 m -78.27 121.3 24.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.11 125.89 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.826 0.346 . . . . 0.0 111.131 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 39.9 tt0 -132.5 114.34 14.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.48 130.63 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.653 0.263 . . . . 0.0 110.622 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.65 128.81 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -93.03 116.59 29.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.634 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.96 -4.82 39.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.538 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.32 38.96 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.92 -173.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -157.89 -64.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.912 0.387 . . . . 0.0 110.478 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -86.43 112.52 21.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.138 0.494 . . . . 0.0 110.718 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' A' ' 45' ' ' ILE . 48.6 mttp -74.91 -22.21 58.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.685 -173.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.75 66.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.226 0.536 . . . . 0.0 110.772 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -84.04 -22.4 31.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.052 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 42' ' ' LYS . 1.8 mp -64.62 -43.11 96.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.113 177.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.199 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -83.63 -36.87 23.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.667 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.01 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.67 -30.36 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.35 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -40.97 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.8 -11.48 60.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.89 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.86 7.54 29.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.553 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -80.51 105.3 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.822 0.344 . . . . 0.0 110.375 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.67 -18.86 13.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.376 0.608 . . . . 0.0 110.251 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -144.92 167.86 21.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.807 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.35 144.17 48.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.771 0.32 . . . . 0.0 110.36 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 91.5 Cg_endo -82.3 148.1 67.33 Favored 'Cis proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.968 -1.68 . . . . 0.0 113.126 0.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.57 122.4 34.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.153 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD21 ' HB1' ' A' ' 5' ' ' ALA . 2.2 tt -105.83 110.96 23.43 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 46.6 t -83.27 103.16 10.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.238 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.18 104.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.516 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 57.45 40.13 27.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.047 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.08 -23.29 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.02 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.82 116.89 29.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.342 . . . . 0.0 110.777 -178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.61 119.37 23.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 0.0 111.58 -178.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -117.72 114.2 22.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.525 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.9 m80 -76.45 138.33 40.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.508 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' B' ' 66' ' ' PHE . 43.3 mm -116.59 96.74 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.541 -177.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 66.46 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.231 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.91 106.14 1.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.038 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.82 -49.29 0.85 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.75 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.38 158.43 44.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.567 0.222 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.7 145.32 15.94 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 45' ' ' ILE . 12.4 tt -74.07 -22.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.257 0.551 . . . . 0.0 110.3 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.585 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 23.4 t70 -76.08 -27.73 57.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.202 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.436 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.38 10.9 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.357 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.585 ' HE3' ' HA ' ' A' ' 75' ' ' ASP . 93.0 mttt -99.16 5.22 46.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.91 -97.9 1.09 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.842 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.74 -176.025 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.96 0.409 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.26 129.3 55.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.002 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' B' ' 31' ' ' TYR . 3.7 m -68.45 174.44 4.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.026 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.516 ' HE3' HD11 ' B' ' 6' ' ' ILE . 58.6 pttt -125.95 157.52 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.38 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -116.45 114.4 24.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.813 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.516 HD11 ' HE3' ' B' ' 4' ' ' LYS . 17.1 mt -96.61 110.47 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.46 ' HD1' ' HB2' ' B' ' 59' ' ' LEU . 79.3 t80 -96.49 113.87 25.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.826 0.345 . . . . 0.0 110.212 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.46 125.55 42.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.127 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.7 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -145.21 -178.84 6.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.864 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.36 21.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.25 77.82 1.25 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.059 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 45.5 m -138.47 149.87 64.35 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.47 -37.81 89.79 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.801 2.334 . . . . 0.0 111.792 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.22 -39.12 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.781 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 27.3 m -65.58 -36.73 84.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.07 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 47.3 t -63.33 -55.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.309 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -37.43 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.213 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.52 87.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 111.012 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.1 tt0 -69.22 -34.27 74.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.735 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 68.9 mt-30 -92.27 -2.31 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.632 -176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.55 -67.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.506 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.64 -48.31 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -78.78 7.58 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.876 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -108.2 -32.95 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.616 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -66.74 -37.0 83.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.651 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.0 mt -93.38 86.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.539 ' HB2' ' HD2' ' B' ' 28' ' ' PRO . 3.3 p30 -83.82 157.49 63.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.491 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 27.9 Cg_endo -62.23 -5.9 7.35 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.36 2.707 . . . . 0.0 114.138 -174.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -84.1 -14.97 49.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.446 0.641 . . . . 0.0 109.524 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -103.36 -58.43 1.88 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.584 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 95.8 m-85 -140.49 155.96 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.788 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.6 p -90.6 129.51 36.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.805 0.335 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.77 126.68 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.787 0.327 . . . . 0.0 110.976 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -119.91 120.35 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.83 177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.444 HD13 ' HB3' ' B' ' 7' ' ' PHE . 34.8 mm -96.16 125.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.152 -178.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.86 125.31 70.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 111.254 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -92.89 107.66 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.635 HD12 HG12 ' B' ' 56' ' ' VAL . 55.5 mt -72.66 -15.73 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.621 -175.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.48 7.22 61.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.785 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -107.96 -19.82 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 111.222 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -147.48 129.61 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.063 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' B' ' 45' ' ' ILE . 60.8 mttp -82.01 -31.83 30.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.328 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 110.904 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.985 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' B' ' 42' ' ' LYS . 80.5 mt -63.22 -50.68 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.0 -34.4 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.411 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.45 -38.47 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -63.48 -40.89 98.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HG2' HD13 ' B' ' 74' ' ' ILE . 39.1 mt-10 -63.96 -30.65 71.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 95.7 mttt -63.03 -45.15 93.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.066 0.46 . . . . 0.0 110.225 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.19 -20.89 60.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.731 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 10.05 12.87 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 47.0 t -84.0 111.37 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -110.33 -3.2 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.318 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 47.8 m -144.21 149.32 36.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.867 0.365 . . . . 0.0 111.385 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.635 HG12 HD12 ' B' ' 38' ' ' LEU . 8.4 m -85.3 -168.55 0.19 Allowed Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 171.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.65 ' HG3' ' SG ' ' B' ' 15' ' ' CYS . 6.3 Cg_exo 12.4 85.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.353 0 C-N-CA 123.375 2.717 . . . . 0.0 114.577 -135.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -147.39 157.29 43.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.795 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' B' ' 5' ' ' ALA . 10.1 tt -133.9 129.51 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.059 0.457 . . . . 0.0 110.614 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 5' ' ' ALA . 63.4 t -101.24 113.63 37.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.788 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -90.94 111.97 24.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.84 -69.18 0.17 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.856 0.722 . . . . 0.0 110.93 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.95 16.05 0.24 Allowed Glycine 0 C--N 1.315 -0.591 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.928 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.99 125.58 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 110.246 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.21 120.29 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.591 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.435 ' HB3' HG23 ' A' ' 68' ' ' ILE . 80.4 m-85 -119.84 103.31 9.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.014 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 72.9 m80 -71.31 125.4 26.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.851 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.5 107.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 92.4 m-20 62.99 -161.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.206 -173.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -109.2 94.2 4.91 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.4 -97.03 0.2 Allowed Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.82 164.28 30.37 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.202 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' ASP . . . -75.27 151.74 42.4 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.804 -1.188 . . . . 0.0 110.386 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' B' ' 49' ' ' GLU . 17.2 tt -70.08 -19.3 22.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 117.58 0.69 . . . . 0.0 109.917 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.22 -14.47 58.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 73' ' ' GLY . 2.4 m-20 -64.04 -33.94 76.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.144 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.441 HD11 HG11 ' B' ' 56' ' ' VAL . 69.2 mt -70.59 -27.59 64.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -76.9 -28.41 55.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.545 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.73 -157.04 35.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.754 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.778 -0.63 . . . . 0.0 110.216 179.028 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 30' ' ' LYS . . . -72.32 108.73 5.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 23.2 t -79.28 148.65 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.448 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HE3' HD11 ' A' ' 6' ' ' ILE . 62.8 tttp -76.01 114.24 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.608 -178.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.71 107.23 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.866 0.365 . . . . 0.0 110.765 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.582 HD11 ' HE3' ' A' ' 4' ' ' LYS . 51.3 mt -95.1 125.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 110.698 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -99.9 100.52 11.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 57' ' ' PRO . 72.9 m-85 -88.9 128.41 35.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.851 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 p80 -148.51 156.84 42.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . . . -142.07 13.29 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.87 -109.87 1.46 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.004 -1.093 . . . . 0.0 111.499 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.4 t -174.46 -64.11 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.057 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 10.2 Cg_endo -50.27 -72.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.677 2.251 . . . . 0.0 113.604 -171.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.99 -22.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.317 0.58 . . . . 0.0 110.997 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 56.2 m -69.97 -47.23 63.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.898 -177.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 12' ' ' CYS . 90.6 t -66.07 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.627 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 m -56.3 -45.56 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.0 110.27 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.55 58.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 25.9 tt0 -64.67 -43.79 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.015 0.436 . . . . 0.0 110.83 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.05 -30.31 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.787 -177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 -66.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.49 -47.29 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.663 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.32 -16.11 63.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -102.2 -14.9 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.685 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.09 -31.55 56.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.197 0.523 . . . . 0.0 109.833 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -87.68 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.472 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 14.5 t70 -86.09 130.77 48.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 22.9 Cg_exo -66.02 -12.67 36.39 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.062 2.508 . . . . 0.0 113.413 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -101.31 -1.2 34.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.405 0.621 . . . . 0.0 110.147 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 51.3 tttp -100.24 -42.55 6.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.601 174.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.712 ' CE1' ' HA ' ' B' ' 25' ' ' ALA . 54.4 m-85 -136.04 138.73 42.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.395 175.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -83.05 93.95 7.69 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.94 112.9 19.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.18 110.65 22.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.288 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.13 116.3 29.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.71 0.29 . . . . 0.0 110.572 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.09 124.28 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.93 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 9' ' ' HIS . 38.7 t-80 -98.51 109.76 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.163 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 91.6 mt -73.37 -11.36 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.45 -19.77 65.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.871 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 m -94.74 -35.2 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.024 0.44 . . . . 0.0 110.726 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.0 119.04 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.356 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -83.29 -17.46 42.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.499 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -34.23 43.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 0.0 110.378 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -63.97 -21.03 66.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.052 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.51 -40.91 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.062 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -68.56 -38.18 80.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.03 -47.83 82.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.088 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -61.85 -40.41 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.248 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.6 -45.13 95.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 98.0 mttt -65.52 -32.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.707 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.88 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.67 15.75 7.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.919 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 53.9 t -75.95 117.13 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.218 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -97.01 -33.47 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.349 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 37.0 m -145.89 166.78 24.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 111.08 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.851 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 29.6 m -130.53 152.18 79.93 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.962 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 8' ' ' TYR . 74.4 Cg_endo -76.53 149.27 90.84 Favored 'Cis proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.099 -1.626 . . . . 0.0 112.697 1.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.08 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 tp -99.16 103.14 15.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.824 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.86 99.47 9.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.487 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.67 105.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.51 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.34 29.04 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.456 0.646 . . . . 0.0 111.315 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.78 -24.01 20.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.69 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.23 111.79 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.845 0.355 . . . . 0.0 110.571 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.32 112.39 20.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.36 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.31 100.42 9.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.988 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -67.97 131.78 46.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.099 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' B' ' 66' ' ' PHE . 57.7 mt -108.08 100.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 62.24 -164.85 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.039 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -128.04 110.73 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.99 -64.16 0.57 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.449 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 151.18 46.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 55' ' ' SER . . . -108.28 152.89 16.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.716 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.72 -24.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.426 0.631 . . . . 0.0 109.91 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.46 -24.45 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.376 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -85.14 -32.73 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.67 -20.45 64.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.631 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -76.52 81.35 3.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.954 0.407 . . . . 0.0 111.398 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.29 -45.57 3.38 Favored Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.427 173.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.098 -174.218 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.63 122.33 26.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.433 ' HB3' ' OD1' ' B' ' 62' ' ' ASP . 25.4 m -71.11 157.82 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.678 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -107.69 149.74 27.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.721 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -122.9 117.39 25.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.485 177.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.844 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.5 pt -99.55 119.14 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 111.288 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' B' ' 35' ' ' ILE . 81.3 t80 -100.78 119.53 38.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.83 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.52 128.74 52.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.293 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -158.4 165.87 33.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.754 173.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.63 23.26 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.21 73.74 1.27 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.664 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.437 ' O ' HG23 ' B' ' 16' ' ' VAL . 58.4 m -127.01 148.55 66.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.85 -18.49 64.91 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.339 2.026 . . . . 0.0 112.093 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.44 -43.48 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.255 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.723 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 17.0 p -76.58 -20.33 56.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.699 -173.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 12' ' ' CYS . 97.1 t -56.47 -48.58 79.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.027 0.442 . . . . 0.0 110.364 177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.8 m -63.69 -41.48 98.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.658 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.28 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.104 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 33.9 tt0 -67.72 -29.79 69.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -93.9 -23.86 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 -60.97 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.03 -39.81 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.721 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -80.83 9.57 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.71 -21.42 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 169.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.712 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . . . -69.8 -45.42 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -101.26 97.56 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 8.1 p-10 -79.45 144.86 62.39 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -175.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 42.6 Cg_exo -58.69 -17.79 37.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.369 2.713 . . . . 0.0 113.341 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 -10.58 50.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.016 0.436 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -99.9 -47.92 4.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 96.1 m-85 -135.59 143.06 45.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.594 173.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -71.46 96.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.995 0.426 . . . . 0.0 111.07 -175.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.72 122.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.923 0.392 . . . . 0.0 110.544 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -121.44 119.85 33.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.173 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' B' ' 7' ' ' PHE . 48.2 mm -89.32 127.58 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.516 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.564 HG13 ' HD3' ' B' ' 44' ' ' ARG . 38.6 t -114.06 104.07 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.287 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -90.58 108.67 19.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.206 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.04 -15.98 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.178 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.91 -19.15 73.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.379 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -82.01 -43.82 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.222 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.797 ' HB2' ' HG3' ' B' ' 44' ' ' ARG . 62.1 m-20 -133.1 119.83 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.09 -17.4 64.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 109.883 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.3 73.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.48 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' B' ' 41' ' ' ASP . 79.7 mtt-85 -71.78 -20.74 61.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.623 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -65.7 -38.75 90.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.375 177.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' B' ' 50' ' ' LYS . 33.1 mt-10 -62.56 -36.45 82.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.77 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -60.07 -46.25 90.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.58 -34.67 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.776 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 92.1 mttt -61.49 -36.6 80.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.653 177.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 -23.32 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.43 10.9 24.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.469 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 46.7 t -69.62 120.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -105.0 -15.77 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.9 m -145.09 147.77 32.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.727 0.299 . . . . 0.0 110.975 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.651 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 12.7 m -74.45 -175.01 0.4 Allowed Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.723 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 2.5 Cg_exo 13.82 89.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.467 3.444 . . . . 0.0 115.675 -136.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.404 ' HA ' ' H ' ' B' ' 68' ' ' ILE . . . -146.05 152.97 40.19 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.244 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 ' HB1' ' B' ' 5' ' ' ALA . 7.2 tt -125.08 126.92 46.11 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.844 ' HB ' HG13 ' B' ' 6' ' ' ILE . 53.5 t -109.07 116.55 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.075 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' B' ' 63' ' ' GLY . 61.0 mt -96.12 107.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.277 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 3' ' ' SER . 7.7 m-20 68.49 -32.5 0.21 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.506 0.722 . . . . 0.0 112.901 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 61' ' ' ILE . . . 166.69 -18.78 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 -175.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.39 121.59 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.73 -0.277 . . . . 0.0 110.257 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.5 121.96 31.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 111.71 -176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 68' ' ' ILE . 89.9 m-85 -120.48 103.75 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.909 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -66.53 123.45 20.06 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.404 ' H ' ' HA ' ' B' ' 58' ' ' ALA . 50.7 mm -105.25 98.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 61.1 96.83 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.953 0.783 . . . . 0.0 109.392 -170.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -41.97 105.53 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.159 0.912 . . . . 0.0 111.755 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.24 -93.87 0.4 Allowed Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.688 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 154.93 47.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.66 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.3 123.27 11.91 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.104 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -69.06 -27.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.068 0.461 . . . . 0.0 110.898 -175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.66 -24.82 58.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.62 -24.64 65.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.0 mt -73.53 -3.49 28.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.98 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.19 -16.0 36.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.199 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.57 92.24 0.71 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.25 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.09 177.515 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.992 0.425 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.0 155.72 28.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.283 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -69.99 134.38 48.27 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 6' ' ' ILE . 59.1 pttt -96.9 147.49 23.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.63 0.729 . . . . 0.0 112.04 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 61' ' ' ILE . . . -113.99 120.66 41.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.891 173.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HE3' ' A' ' 4' ' ' LYS . 16.1 mt -94.98 114.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.915 0.388 . . . . 0.0 110.304 -175.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 68' ' ' ILE . 44.5 t80 -96.87 100.02 11.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.104 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.68 124.69 34.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.47 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 22.4 p80 -150.24 -179.55 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.844 175.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.67 18.86 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.94 54.94 18.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.758 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -124.08 151.74 65.93 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -44.03 -44.48 12.22 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.437 2.758 . . . . 0.0 113.624 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.7 -49.14 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.549 0.214 . . . . 0.0 111.537 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 29.2 p -75.48 -30.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.044 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.65 -37.4 77.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.309 175.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -67.05 -40.39 87.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.394 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.91 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 40.1 tt0 -62.92 -33.1 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.608 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -83.92 -39.03 20.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.182 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.0 -70.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.57 -41.39 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.755 0.312 . . . . 0.0 111.305 -173.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -76.98 4.82 9.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.614 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -117.08 -24.54 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.97 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.0 112.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 170.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.14 118.88 43.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 24.5 Cg_exo -64.43 -12.81 35.01 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.26 2.64 . . . . 0.0 112.947 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -100.72 4.43 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.156 0.503 . . . . 0.0 110.015 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -117.87 -35.41 3.91 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 60.7 m-85 -133.26 135.14 44.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.035 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.2 m -74.25 104.19 4.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.074 0.464 . . . . 0.0 110.937 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.3 110.25 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.156 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 36.9 tt0 -113.02 112.63 24.2 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.43 130.05 47.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.775 -175.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -130.09 130.78 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.681 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.91 120.3 23.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 38' ' ' LEU . 2.3 tm? -91.57 -23.24 19.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.656 -173.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.65 0.69 88.21 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.611 -172.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -101.03 -37.86 8.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.226 0.513 . . . . 0.0 111.673 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.52 132.83 55.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.935 0.398 . . . . 0.0 111.577 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -89.22 -4.39 58.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.784 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -35.86 41.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.002 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -72.78 -16.02 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 177.014 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 74' ' ' ILE . 52.8 mt -63.07 -38.56 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.978 0.418 . . . . 0.0 109.959 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.99 78.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' OE2' ' HG3' ' A' ' 44' ' ' ARG . 41.4 mt-10 -67.73 -36.56 80.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 175.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -62.17 -44.5 96.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.789 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.18 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -75.32 -29.59 60.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.999 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.84 -31.18 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.32 29.88 3.55 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.343 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.539 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 87.7 t -83.51 126.0 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.775 0.322 . . . . 0.0 110.305 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 74' ' ' ILE . 98.4 mttt -105.77 -37.51 6.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 26.0 p -151.32 157.51 42.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.142 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 35.0 m -98.57 147.98 33.9 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 1.2 Cg_endo -80.2 133.05 25.84 Favored 'Cis proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.95 -1.271 . . . . 0.0 112.733 3.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.06 31.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.589 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.2 tp -96.87 100.58 12.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.725 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.25 97.67 7.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.699 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 63' ' ' GLY . 55.1 mt -90.86 106.04 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 71.31 -32.4 0.25 Allowed 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.821 0.7 . . . . 0.0 112.07 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 166.34 -20.72 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.03 118.77 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 110.253 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.2 123.39 33.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -114.36 112.21 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.948 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 55' ' ' SER . 72.5 m80 -82.15 121.2 26.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.562 -177.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD12 ' HE1' ' A' ' 7' ' ' PHE . 48.8 mt -94.4 96.51 6.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 63.11 -165.37 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -120.21 112.29 18.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.41 -77.55 1.24 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.414 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.37 132.11 29.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -88.62 145.09 18.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.324 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 45' ' ' ILE . 14.6 tt -66.91 -29.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.03 -40.79 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.517 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.57 -18.74 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 73' ' ' GLY . 95.5 mt -74.29 -26.85 60.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.719 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.5 -57.67 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.691 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.21 -115.24 0.6 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.257 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.708 178.395 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.964 0.411 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.1 126.87 49.16 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -67.02 142.98 57.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -97.63 145.88 25.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.489 0.661 . . . . 0.0 111.762 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -120.21 116.61 25.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.179 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 35.9 mt -101.86 114.2 40.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.0 111.09 -173.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -96.52 122.09 39.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -106.54 133.05 51.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.503 ' HA ' ' HB ' ' B' ' 56' ' ' VAL . 8.0 p80 -154.25 -179.43 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.394 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 25.27 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.666 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.89 59.95 5.22 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.978 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.513 ' O ' HG23 ' B' ' 16' ' ' VAL . 20.0 m -117.17 148.27 42.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -52.29 -35.52 64.41 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.581 2.187 . . . . 0.0 112.157 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.41 -46.97 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.478 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.908 ' HB3' ' HG3' ' B' ' 57' ' ' PRO . 25.7 p -77.92 -18.37 56.2 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.469 -175.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 12' ' ' CYS . 95.9 t -60.36 -53.76 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 109.752 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.4 m -64.02 -41.93 97.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.47 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.26 96.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.275 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -63.09 -50.77 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.07 -4.67 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.07 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 -66.13 1.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.89 -50.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 -175.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.68 -0.68 27.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.051 0.453 . . . . 0.0 110.926 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -93.49 -37.81 11.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.36 70.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.461 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.97 94.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' B' ' 29' ' ' SER . 4.6 p-10 -91.59 156.33 43.16 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.818 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 32.6 Cg_exo -60.08 -16.98 42.66 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.49 2.793 . . . . 0.0 114.305 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' B' ' 27' ' ' ASP . 51.0 m -79.72 -10.78 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 110.435 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -107.32 -51.82 2.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 58.4 m-85 -137.37 138.1 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.745 176.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 22.9 m -73.94 107.82 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.887 0.375 . . . . 0.0 110.478 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.67 124.33 38.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.032 0.444 . . . . 0.0 111.275 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 13.5 tp10 -117.9 111.14 18.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.64 122.79 54.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 52.9 t -119.58 125.15 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.216 0.531 . . . . 0.0 111.176 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -89.81 113.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' B' ' 56' ' ' VAL . 68.7 mt -84.63 -5.99 59.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.821 0.343 . . . . 0.0 111.601 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.44 49.3 2.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.797 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -153.29 -45.77 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.42 126.61 46.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.42 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -72.82 -19.62 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.209 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 47' ' ' GLU . . . -68.42 -32.2 72.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 110.049 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.483 ' HD3' ' OE2' ' B' ' 47' ' ' GLU . 69.2 mmt-85 -68.54 -32.87 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.223 176.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.434 HG23 HD11 ' B' ' 74' ' ' ILE . 73.4 mt -62.48 -41.48 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.121 176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.41 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.608 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.483 ' OE2' ' HD3' ' B' ' 44' ' ' ARG . 42.7 mt-10 -66.72 -32.18 73.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -62.3 -55.97 22.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.98 -29.78 71.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -63.82 -37.15 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.137 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.56 26.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.79 5.66 10.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.898 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.471 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 22.6 t -80.11 98.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.82 -5.19 35.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.54 ' HB3' ' CD2' ' B' ' 67' ' ' HIS . 37.9 t -147.52 144.5 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 6.9 m -76.52 -168.21 0.14 Allowed Pre-proline 0 C--O 1.238 0.494 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.908 ' HG3' ' HB3' ' B' ' 15' ' ' CYS . 5.8 Cg_exo 15.22 85.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 123.713 2.942 . . . . 0.0 114.8 -136.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.29 156.32 41.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.504 177.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' B' ' 5' ' ' ALA . 6.7 tt -128.79 126.03 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.034 0.445 . . . . 0.0 110.305 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 54.0 t -97.3 119.05 44.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.76 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -102.1 108.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.71 -48.89 0.66 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.896 0.748 . . . . 0.0 111.799 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.12 -27.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.097 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.63 126.03 33.6 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.805 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.371 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -118.12 116.8 27.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.809 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' B' ' 55' ' ' SER . 70.4 m80 -75.09 125.04 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -112.49 100.57 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 61.89 99.18 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.5 -170.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -44.92 105.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.008 0.818 . . . . 0.0 111.44 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.423 ' HA3' ' HG2' ' B' ' 57' ' ' PRO . . . -80.39 -90.81 0.49 Allowed Glycine 0 N--CA 1.437 -1.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.811 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.55 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.69 133.04 30.02 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.965 -0.694 . . . . 0.0 111.826 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.26 142.08 36.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.886 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.434 HD11 HG23 ' B' ' 45' ' ' ILE . 10.8 tp -60.36 -28.88 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.89 0.376 . . . . 0.0 111.248 -176.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.35 -21.4 53.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.759 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.71 -28.63 63.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.447 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.78 -25.38 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.687 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -72.95 -51.03 19.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.647 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.27 25.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.001 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.441 177.158 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.32 130.16 54.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.649 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.2 m -76.32 147.36 38.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.719 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.38 115.26 18.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.082 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.33 110.67 14.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.494 HG12 ' OE1' ' A' ' 34' ' ' GLU . 4.5 mt -96.56 128.67 47.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.887 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -107.49 99.1 8.64 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' HD21 ' A' ' 38' ' ' LEU . 69.2 m-85 -90.16 123.67 34.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 18.8 p80 -141.79 171.93 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.294 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.35 15.63 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.63 19.68 78.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.734 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 m -78.91 149.17 73.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.68 -27.63 62.01 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 112.348 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.14 -31.23 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 42.4 m -72.71 -27.92 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.85 -50.59 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.297 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -59.01 -41.42 87.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.361 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 30.9 tt0 -67.0 -42.52 84.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.62 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -58.95 -56.79 17.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.874 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.28 -58.36 2.4 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -174.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.24 -49.0 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.657 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -69.16 -14.26 62.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -105.88 1.12 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.021 0.439 . . . . 0.0 110.702 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.62 -29.27 15.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.621 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 25' ' ' ALA . 78.5 mt -66.02 120.84 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.6 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.09 126.13 75.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.126 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.98 -19.67 33.4 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.477 2.785 . . . . 0.0 113.495 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.9 p -72.68 -11.64 60.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.671 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' B' ' 27' ' ' ASP . 63.1 mttm -109.36 -51.98 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' SER . 71.5 m-85 -131.63 149.62 52.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.274 -174.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 m -99.22 109.71 22.34 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.5 t -84.33 104.48 12.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.945 0.402 . . . . 0.0 110.804 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 6' ' ' ILE . 39.7 mt-10 -88.48 106.65 18.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.365 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mm -78.91 108.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.69 115.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.434 . . . . 0.0 111.436 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -88.39 117.12 27.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.803 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 8' ' ' TYR . 72.4 mt -77.73 -24.21 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 112.02 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.85 39.01 2.17 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.093 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -133.36 -42.03 0.87 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -133.82 129.5 36.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.462 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 59.9 mttp -88.95 0.42 56.65 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.77 -31.89 25.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -71.52 -8.93 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.488 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 42' ' ' LYS . 48.6 mm -61.7 -45.54 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.65 81.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.01 -47.5 86.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.111 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.2 91.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.73 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.74 -42.93 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -69.33 -27.58 65.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.253 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.58 -11.05 59.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 0.0 111.1 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.17 10.31 39.68 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.59 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -74.91 114.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.71 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -99.26 -25.22 14.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.818 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -155.11 168.19 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.1 m -117.13 146.37 37.93 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.585 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 79.5 Cg_endo -83.56 146.55 54.71 Favored 'Cis proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.908 -0.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -126.55 129.68 49.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 26' ' ' ILE . 60.4 tp -102.77 102.98 13.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.158 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.1 t -85.81 97.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 0.0 109.87 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.65 100.72 11.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.829 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 62.04 16.39 8.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.416 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.42 -21.69 6.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.748 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.93 123.84 38.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.747 0.273 . . . . 0.0 110.581 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.18 24.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.02 0.438 . . . . 0.0 111.445 -175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.415 ' HA ' ' ND2' ' B' ' 69' ' ' ASN . 96.8 m-85 -115.91 104.75 11.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.324 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 71.2 m80 -71.45 146.53 48.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.689 178.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -132.2 105.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 123.296 0.373 . . . . 0.0 110.106 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 66.16 106.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.08 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -65.95 100.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.03 -66.6 0.99 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.845 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.41 142.1 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.51 153.81 30.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.204 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.04 -26.04 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.69 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.721 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.17 -31.15 65.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.918 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.47 -35.55 53.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.0 110.555 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.06 -40.24 53.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.49 48.45 1.04 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.235 -178.094 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.12 43.41 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.013 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -63.57 166.96 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.244 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.564 ' HA ' ' O ' ' B' ' 32' ' ' THR . 2.3 pttp -87.07 121.97 30.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.462 0.649 . . . . 0.0 111.202 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.45 119.62 34.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.204 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.52 114.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.0 0.429 . . . . 0.0 111.278 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' B' ' 35' ' ' ILE . 53.4 t80 -94.56 98.09 10.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.42 ' CD2' HG21 ' B' ' 53' ' ' VAL . 57.1 m-85 -85.21 118.12 24.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.736 0.303 . . . . 0.0 110.23 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.775 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 6.3 p80 -135.27 -175.88 4.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.546 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.96 22.6 2.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.9 61.81 2.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.223 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 35.9 m -129.49 156.46 78.57 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.72 -33.57 96.96 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.617 2.212 . . . . 0.0 111.627 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.21 -39.88 53.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.658 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.775 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 4.5 m -71.12 -30.28 66.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.667 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLN . 41.2 t -72.5 -48.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.342 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -64.71 -39.57 93.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.79 75.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 35.3 tt0 -65.87 -42.83 89.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' B' ' 16' ' ' VAL . 47.6 mm-40 -79.32 -16.75 55.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.722 -173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 -64.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.821 0.343 . . . . 0.0 111.802 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.18 -48.82 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.26 -11.79 60.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -83.79 -36.19 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.127 0.489 . . . . 0.0 109.88 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' A' ' 26' ' ' ILE . . . -67.84 -36.66 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.859 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -88.96 106.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.635 175.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.616 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 11.6 t70 -65.46 134.49 95.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.056 -175.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.09 -20.35 71.05 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.971 2.447 . . . . 0.0 112.931 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t -92.35 -15.65 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' B' ' 27' ' ' ASP . 51.7 tttp -82.54 -47.7 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.227 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -139.35 147.88 42.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 174.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' B' ' 4' ' ' LYS . 10.8 m -83.72 93.9 8.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.57 123.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.269 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.54 123.33 43.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.662 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' B' ' 7' ' ' PHE . 42.2 mt -99.12 118.14 45.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.993 0.425 . . . . 0.0 110.735 -177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.531 HG13 ' HD3' ' B' ' 44' ' ' ARG . 92.3 t -112.92 125.02 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.885 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -90.14 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.309 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.637 HD12 HG12 ' B' ' 56' ' ' VAL . 68.7 mt -86.36 -14.5 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 111.305 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.39 -10.16 81.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.332 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -106.11 -60.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.831 0.348 . . . . 0.0 111.319 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.65 135.35 37.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.234 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -88.19 -21.54 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.753 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.06 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.531 ' HD3' HG13 ' B' ' 36' ' ' VAL . 69.7 mtt85 -65.5 -27.0 68.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.971 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.521 . . . . 0.0 109.611 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.23 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.653 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.862 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.68 -38.12 80.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.008 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.56 -39.89 92.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.099 0.476 . . . . 0.0 110.713 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.81 -32.1 46.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.29 78.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.577 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.69 39.45 0.71 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.437 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 36.4 t -109.75 122.43 64.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.514 0.197 . . . . 0.0 110.518 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -101.27 -18.36 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.0 111.238 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.742 ' HA ' ' HA2' ' B' ' 73' ' ' GLY . 24.8 m -139.67 141.99 36.96 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.154 -177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.637 HG12 HD12 ' B' ' 38' ' ' LEU . 12.1 m -82.88 -173.35 0.43 Allowed Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.064 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.767 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 0.6 OUTLIER 14.45 88.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.437 0 C-N-CA 124.196 3.264 . . . . 0.0 115.437 -136.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.707 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -145.0 162.39 37.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 113.247 -1.797 . . . . 0.0 109.575 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.29 117.11 24.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 0.0 110.741 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 44.9 t -96.57 101.18 12.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.89 116.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.98 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 64.22 12.39 7.08 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.595 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.51 -21.86 9.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.542 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.85 126.67 37.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 110.53 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -88.41 117.45 27.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.95 0.405 . . . . 0.0 111.487 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -112.97 110.15 20.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.8 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 60.3 m80 -73.14 134.6 44.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.707 HG13 ' HA ' ' B' ' 58' ' ' ALA . 4.3 mt -92.97 -171.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.662 ' H ' HG22 ' B' ' 68' ' ' ILE . 76.2 m-20 -27.02 111.27 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.552 0.533 . . . . 0.0 110.254 166.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -48.11 101.59 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.319 1.012 . . . . 0.0 112.009 -167.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.19 -87.62 0.5 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.93 -176.27 4.52 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.684 176.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.742 ' HA2' ' HA ' ' B' ' 55' ' ' SER . . . -109.95 162.27 12.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.141 174.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 tt -72.22 -24.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.4 -28.58 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.559 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.48 -47.43 67.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.031 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.56 -27.85 41.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.329 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -80.41 -35.95 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.08 52.61 26.95 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.124 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.108 -179.209 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.459 0.171 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.24 86.15 5.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.271 0.557 . . . . 0.0 110.097 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -99.55 170.2 8.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.265 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 6' ' ' ILE . 51.2 tptt -72.26 114.66 10.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.88 109.08 11.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.207 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.609 HD11 ' HE3' ' A' ' 4' ' ' LYS . 28.8 mm -97.43 132.15 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.899 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.574 ' HB3' HG12 ' A' ' 35' ' ' ILE . 57.9 t80 -111.77 102.47 10.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' CD2' HG21 ' A' ' 53' ' ' VAL . 53.3 m-85 -86.67 131.34 34.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.657 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 5.3 p80 -153.68 165.85 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 174.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.9 9.75 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.83 33.73 50.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.378 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 158.59 35.94 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.11 -40.65 68.1 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.667 2.244 . . . . 0.0 112.087 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.36 -36.37 72.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.564 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.792 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 60.5 m -67.42 -38.91 85.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.76 -45.62 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.286 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 m -61.51 -45.24 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.799 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.89 92.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.43 -59.63 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -69.01 -12.93 62.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -171.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.5 -63.67 1.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.95 -55.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.615 0.245 . . . . 0.0 111.569 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.59 74.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 111.194 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -73.86 -30.95 62.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.693 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.92 74.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.346 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.43 118.91 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.227 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 5.2 m-20 -69.33 128.07 92.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' ASP . 15.0 Cg_exo -69.82 -3.5 12.18 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 111.061 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 t -95.52 -6.74 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.34 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -108.69 -50.82 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.747 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -123.59 156.54 35.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.779 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 m -89.72 91.8 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.024 0.44 . . . . 0.0 110.229 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.54 110.26 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HB3' HD13 ' A' ' 6' ' ' ILE . 35.4 tt0 -111.78 107.15 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.537 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 7' ' ' PHE . 66.9 mt -88.74 125.5 41.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.043 -175.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.34 122.39 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -86.88 116.56 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.617 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.52 -5.74 55.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.606 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.07 47.5 3.78 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.2 m -157.48 -55.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.068 0.461 . . . . 0.0 110.759 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -104.29 131.68 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.639 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.82 -15.02 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.686 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.34 74.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.256 0.551 . . . . 0.0 109.927 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -72.96 -11.04 60.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.838 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.57 -40.55 86.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.12 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.073 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.03 -46.52 87.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.364 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.61 -40.51 92.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.895 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' OE2' ' HE3' ' A' ' 78' ' ' LYS . 39.1 tt0 -64.63 -37.49 87.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.08 -36.45 83.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.583 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.46 -42.44 43.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.573 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.61 21.59 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.43 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 57.9 t -82.99 134.54 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.479 0.18 . . . . 0.0 110.52 -178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 74' ' ' ILE . 95.6 mttt -111.48 -34.11 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.723 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.473 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 15.6 m -135.15 161.1 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.896 0.379 . . . . 0.0 110.984 -174.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 27.4 m -124.45 145.75 50.02 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.826 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.792 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 6.2 Cg_exo -78.03 153.66 93.12 Favored 'Cis proline' 0 CA--C 1.528 0.177 0 C-N-CA 123.755 -1.352 . . . . 0.0 112.859 2.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -138.32 133.72 33.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.415 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -106.32 108.08 19.41 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 43.7 t -89.1 102.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.338 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.8 mt -97.44 106.54 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.339 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 62.98 17.13 9.84 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.423 0.63 . . . . 0.0 111.273 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.88 -17.19 17.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.314 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.32 114.25 26.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.755 0.312 . . . . 0.0 110.172 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -84.98 112.41 20.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 111.656 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.22 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.079 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.543 ' HB2' ' HA ' ' B' ' 69' ' ' ASN . 69.0 m80 -71.61 139.01 49.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.395 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.515 ' O ' ' HD2' ' A' ' 57' ' ' PRO . 52.7 mt -113.34 92.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.891 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 65.23 -173.76 0.18 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.841 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -127.57 104.59 7.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.889 0.376 . . . . 0.0 111.096 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.88 -56.14 1.17 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 173.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.27 157.0 46.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.7 135.08 12.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.66 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 54' ' ' LYS . 11.4 tt -66.07 -34.72 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.44 -30.2 69.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.97 -35.09 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.358 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.39 -24.71 24.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.392 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HE3' ' OE2' ' A' ' 49' ' ' GLU . 59.2 tttm -76.39 108.48 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.046 0.451 . . . . 0.0 111.101 -176.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.42 163.84 30.83 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.396 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.301 -178.332 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.319 0.104 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.04 106.5 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.637 0.256 . . . . 0.0 111.027 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.521 ' H ' ' HD1' ' B' ' 31' ' ' TYR . 56.3 p -101.79 -168.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' B' ' 6' ' ' ILE . 73.1 tttt -99.94 120.27 39.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.094 0.473 . . . . 0.0 110.891 -177.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -115.96 121.21 41.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.664 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.737 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 32.8 mm -95.28 141.06 15.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.664 -176.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.61 ' HD2' HG23 ' B' ' 35' ' ' ILE . 71.0 t80 -126.58 106.74 9.63 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 59.4 m-85 -92.83 129.27 38.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.876 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.733 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 6.4 p80 -134.49 159.85 39.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.76 0.314 . . . . 0.0 110.552 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' B' ' 12' ' ' CYS . . . -117.03 9.18 13.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.186 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 31.46 58.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.178 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' B' ' 13' ' ' PRO . 34.7 m -94.45 163.83 21.77 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 12' ' ' CYS . 13.2 Cg_endo -57.19 -30.75 88.39 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.557 2.171 . . . . 0.0 111.737 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.91 -34.67 63.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.691 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.793 ' SG ' ' HG3' ' B' ' 57' ' ' PRO . 34.0 m -67.09 -43.27 82.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.448 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' B' ' 20' ' ' GLN . 43.9 t -56.44 -54.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.168 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.8 m -63.99 -34.78 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.18 94.71 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.502 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 43.8 mt-10 -63.22 -50.26 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 16' ' ' VAL . 96.6 mt-30 -59.54 -33.8 71.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.37 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.58 -68.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -65.86 -48.0 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.63 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -73.19 -10.83 60.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.637 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -25.48 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.843 0.354 . . . . 0.0 110.361 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.32 -33.48 71.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -96.14 108.73 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.154 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.27 133.9 87.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.851 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.66 -27.52 85.14 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.02 -18.65 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.048 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' B' ' 31' ' ' TYR . 63.9 tttp -91.73 -41.35 10.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.285 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.521 ' HD1' ' H ' ' B' ' 3' ' ' SER . 70.5 m-85 -142.4 143.94 32.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.665 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -76.64 94.1 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.009 0.433 . . . . 0.0 110.071 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 47.2 t -87.58 111.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.706 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.27 108.3 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' B' ' 7' ' ' PHE . 61.1 mt -95.57 122.62 47.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.222 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.98 132.48 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -79.89 122.62 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 109.996 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 38' ' ' LEU . 40.4 tp -124.54 18.45 8.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.471 0.653 . . . . 0.0 109.995 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.35 1.92 70.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.973 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -142.64 -22.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.49 116.74 27.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -89.36 -10.65 45.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.848 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.45 58.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -73.06 -4.84 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.059 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.61 -43.88 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.195 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -66.64 -37.51 84.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.68 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -48.37 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' B' ' 53' ' ' VAL . . . -59.52 -39.79 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.02 -38.73 87.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.636 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 62.5 mttm -76.6 -15.02 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.17 -4.54 48.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.03 10.4 62.67 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.689 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' B' ' 48' ' ' ALA . 32.4 t -87.48 112.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -109.53 -4.71 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.533 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.689 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 49.6 m -150.05 154.41 38.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.736 0.303 . . . . 0.0 111.115 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.815 ' HB ' ' HD2' ' B' ' 57' ' ' PRO . 0.2 OUTLIER -87.66 -162.95 0.04 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.51 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.815 ' HD2' ' HB ' ' B' ' 56' ' ' VAL . 19.9 Cg_exo 5.3 87.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.743 2.962 . . . . 0.0 114.652 -142.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -148.68 153.97 39.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.684 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.77 111.26 23.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.022 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 24.4 t -101.48 96.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -90.83 111.21 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.339 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 55.86 31.62 18.08 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.078 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.21 -14.1 59.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.028 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.27 111.84 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.858 0.361 . . . . 0.0 110.125 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.88 110.82 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 111.583 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 68' ' ' ILE . 95.0 m-85 -107.52 97.41 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.689 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 52.5 m80 -71.87 129.69 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mm -93.0 110.95 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 93.2 m-20 64.49 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.7 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -178.16 88.13 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -76.89 -84.55 0.46 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.177 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.77 154.22 47.34 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.963 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.41 143.25 16.52 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.65 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.79 -23.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.402 0.62 . . . . 0.0 109.418 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.674 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.18 -30.13 70.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.98 -1.24 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.306 -176.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -88.74 -7.01 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.14 -78.92 0.72 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.394 -0.908 . . . . 0.0 111.569 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.316 -0.858 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.741 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -166.37 152.71 8.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.812 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -103.83 169.94 8.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 173.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.763 ' HE2' HG12 ' A' ' 6' ' ' ILE . 87.1 tttt -87.6 133.03 33.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.384 0.611 . . . . 0.0 112.024 -173.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . . . -122.47 115.96 23.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.352 173.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.763 HG12 ' HE2' ' A' ' 4' ' ' LYS . 3.9 mt -104.77 113.81 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 110.866 -173.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -97.84 110.56 23.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.829 0.347 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -100.09 127.56 46.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 33.1 p80 -152.24 176.24 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.344 173.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.95 21.51 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.245 . . . . 0.0 111.577 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.45 77.06 0.58 Allowed Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.742 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -137.46 159.89 67.54 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.32 -42.79 46.57 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.837 2.358 . . . . 0.0 112.27 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -41.58 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.729 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 37.5 m -61.59 -39.83 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.495 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.25 -47.35 92.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 -41.35 97.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.25 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 35.1 tt0 -72.87 -43.24 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.198 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -72.77 -33.64 66.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.54 -66.56 0.89 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.24 -42.68 81.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.612 0.244 . . . . 0.0 111.424 -173.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -73.01 -7.7 52.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.278 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -23.7 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.997 0.427 . . . . 0.0 110.096 172.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.63 76.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.09 91.32 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.19 127.21 92.66 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.696 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.75 -17.79 60.96 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.987 2.458 . . . . 0.0 112.636 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -86.87 -14.93 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.244 0.545 . . . . 0.0 109.992 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -103.5 -37.36 7.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.856 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.566 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 90.7 m-85 -139.88 147.21 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.057 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -83.38 95.8 8.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -84.0 119.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.644 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -119.86 113.43 20.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.67 119.07 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.747 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.34 125.45 70.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.045 0.45 . . . . 0.0 110.581 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -92.9 123.74 36.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.692 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.2 mt -88.24 -3.2 58.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.529 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.67 -29.46 16.07 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.642 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -65.5 -45.54 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.25 119.95 23.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.505 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 65.8 mttp -69.56 -24.93 63.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.187 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.65 84.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.572 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -75.39 -12.16 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.153 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 42' ' ' LYS . 72.2 mt -67.07 -43.18 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.65 85.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.246 176.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -48.36 79.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.65 95.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.31 -52.75 60.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.824 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -75.0 -10.65 59.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.276 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.86 -12.27 48.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.629 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.79 16.11 14.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.116 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -77.97 116.06 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.256 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -95.53 -32.63 12.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -153.04 175.25 13.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.483 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.94 147.17 64.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.623 0.249 . . . . 0.0 110.533 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HG3' ' SG ' ' A' ' 15' ' ' CYS . 5.6 Cg_exo -77.85 150.25 89.35 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 123.545 -1.44 . . . . 0.0 112.436 -0.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -132.34 117.56 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.95 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 61' ' ' ILE . 2.1 tt -100.46 102.12 13.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 47.1 t -79.01 95.13 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.956 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.475 HG12 HD22 ' A' ' 59' ' ' LEU . 69.2 mt -90.7 110.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.36 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.64 -2.94 2.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.46 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.08 -29.57 2.62 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.394 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.34 128.33 36.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.662 0.268 . . . . 0.0 110.627 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -80.51 119.09 22.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.069 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB3' HG23 ' B' ' 68' ' ' ILE . 81.6 m-85 -111.1 107.44 16.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.292 0.567 . . . . 0.0 110.467 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 52.0 m80 -81.01 109.2 15.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.624 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -89.85 106.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.667 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.8 96.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.896 0.747 . . . . 0.0 111.093 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.65 104.82 0.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.083 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.57 -52.07 0.88 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.756 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.65 136.88 34.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.644 0.259 . . . . 0.0 110.473 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.11 165.26 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.088 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.4 tt -75.2 -8.77 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.366 0.603 . . . . 0.0 110.106 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.6 -42.8 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.771 172.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.9 -14.46 62.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.249 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.4 tp -85.75 -6.69 59.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.314 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -124.09 159.89 28.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.366 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.63 54.04 4.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.771 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.396 -178.445 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.356 0.598 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.73 -172.65 4.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.563 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -94.49 178.53 5.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -87.76 126.69 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 -175.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -119.78 97.28 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 60' ' ' VAL . 2.3 pt -105.39 115.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.975 0.417 . . . . 0.0 112.013 -174.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' B' ' 59' ' ' LEU . 38.7 t80 -90.79 133.04 35.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.403 ' HE2' HD12 ' B' ' 6' ' ' ILE . 73.8 m-85 -122.8 123.02 40.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.902 0.382 . . . . 0.0 110.961 -178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.717 ' HB2' ' SG ' ' B' ' 15' ' ' CYS . 31.0 p80 -146.15 168.18 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.12 25.47 10.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.13 29.77 60.0 Favored Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.729 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.518 ' O ' HG23 ' B' ' 16' ' ' VAL . 4.1 m -85.05 145.23 42.84 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 -35.74 84.45 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.465 2.11 . . . . 0.0 111.713 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.35 -45.19 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.636 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 5.9 p -87.21 -9.02 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 12' ' ' CYS . 74.2 t -64.66 -51.46 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -64.09 -34.89 79.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.32 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' B' ' 23' ' ' ALA . 29.7 tt0 -59.27 -52.31 66.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 177.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -58.31 -41.35 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.089 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.72 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -71.46 -38.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 19' ' ' GLU . . . -75.41 -12.52 60.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.978 0.418 . . . . 0.0 111.204 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.21 -24.28 15.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 0.0 109.817 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.33 -46.22 56.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.75 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 55.6 mt -89.04 112.8 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.636 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.26 151.9 40.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.074 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' O ' ' B' ' 31' ' ' TYR . 31.4 Cg_exo -59.96 -21.04 63.08 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.585 2.856 . . . . 0.0 113.465 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.2 m -74.85 -44.63 48.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.229 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -71.27 -45.12 63.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.17 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 28' ' ' PRO . 72.5 m-85 -144.07 135.8 26.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 32.4 m -75.26 96.42 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.185 0.517 . . . . 0.0 110.516 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 36.6 t -88.43 146.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.285 -175.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -145.22 130.76 18.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.611 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mm -100.4 121.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.821 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -119.91 128.74 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.454 . . . . 0.0 110.608 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -96.61 117.23 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.367 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -96.39 9.82 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.55 21.32 29.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.507 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.6 m -147.97 -71.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.668 -0.313 . . . . 0.0 110.692 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -73.86 116.83 14.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.192 0.52 . . . . 0.0 110.513 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.8 mttp -89.62 -14.16 35.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.49 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.229 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.531 HH21 ' CD ' ' B' ' 47' ' ' GLU . 0.6 OUTLIER -62.49 -29.06 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.787 178.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' B' ' 42' ' ' LYS . 72.1 mt -62.55 -42.44 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.534 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -67.51 -28.38 67.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.207 0.527 . . . . 0.0 110.896 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.531 ' CD ' HH21 ' B' ' 44' ' ' ARG . 34.8 mt-10 -80.22 -29.68 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.813 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.36 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.534 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 45.7 mt-10 -51.19 -47.12 62.29 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.645 0.736 . . . . 0.0 109.95 173.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -82.97 -11.18 58.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.463 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.89 31.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 0.0 110.832 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.74 8.92 27.53 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.732 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.98 105.54 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -93.79 -28.86 15.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.762 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.622 ' HB2' ' CD2' ' B' ' 67' ' ' HIS . 50.3 m -146.72 157.96 43.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.777 175.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.643 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 7.7 m -84.69 -172.29 0.35 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.603 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.643 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.1 Cg_exo 15.27 84.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.106 3.204 . . . . 0.0 115.375 -137.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -158.59 175.84 13.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 113.532 -1.667 . . . . 0.0 109.644 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.568 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 2.3 pt? -150.93 141.58 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.114 0.483 . . . . 0.0 111.081 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 6' ' ' ILE . 29.3 t -95.4 101.22 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.423 HG13 ' HG ' ' B' ' 59' ' ' LEU . 68.3 mt -96.7 115.96 37.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.188 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 73.26 -15.56 0.53 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.595 0.559 . . . . 0.0 111.489 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 0.77 3.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.168 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.0 123.94 48.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.628 0.251 . . . . 0.0 110.341 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 60' ' ' VAL . . . -88.31 105.38 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.927 0.394 . . . . 0.0 111.28 -177.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.413 ' O ' HD23 ' B' ' 59' ' ' LEU . 85.6 m-85 -97.22 132.58 42.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.622 ' CD2' ' HB2' ' B' ' 55' ' ' SER . 69.3 m80 -96.74 120.43 37.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 66' ' ' PHE . 43.4 mt -109.41 109.96 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.646 -173.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 63.18 100.48 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 124.216 0.947 . . . . 0.0 109.174 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -43.57 102.22 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 O-C-N 124.224 0.953 . . . . 0.0 111.608 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.16 -100.14 0.53 Allowed Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.87 151.43 45.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.056 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.25 147.93 46.63 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.869 -1.158 . . . . 0.0 110.482 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 18.6 tt -60.11 -33.11 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.398 0.599 . . . . 0.0 110.681 -176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.873 ' HA ' ' HB3' ' B' ' 78' ' ' LYS . 2.7 m-20 -79.4 1.49 25.14 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -82.99 -23.05 33.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.51 -40.72 5.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.15 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.873 ' HB3' ' HA ' ' B' ' 75' ' ' ASP . 51.0 tttm -61.87 130.46 45.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.242 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.63 98.43 0.62 Allowed Glycine 0 CA--C 1.509 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.54 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -174.081 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.657 0.265 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 87.99 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 0.0 110.124 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -75.23 162.92 28.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -89.26 120.14 30.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.068 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -116.28 113.21 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.208 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.77 124.8 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.56 0.219 . . . . 0.0 110.745 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -109.27 112.36 24.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.876 0.37 . . . . 0.0 110.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.79 133.16 45.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.615 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 21.2 p80 -158.41 171.12 20.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 172.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.94 12.57 16.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 3.34 84.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.104 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.85 151.29 89.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.502 0.151 . . . . 0.0 110.643 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.05 -40.78 75.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.941 2.427 . . . . 0.0 112.028 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.25 -37.51 63.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.52 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.907 ' HA ' ' HG3' ' A' ' 57' ' ' PRO . 47.4 m -73.4 -39.2 65.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.881 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.8 t -57.35 -44.28 83.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.482 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 m -61.43 -48.12 82.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.54 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.63 -60.58 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -76.62 -16.74 59.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.8 -57.51 2.72 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.519 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 68' ' ' ILE . 47.9 t -70.21 -39.56 77.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.44 -3.96 30.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.502 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.21 -21.69 12.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 110.096 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.57 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.786 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.87 110.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.14 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -63.31 131.2 94.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.887 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.57 -27.0 69.45 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.889 2.393 . . . . 0.0 112.553 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -79.59 -16.05 56.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.142 0.496 . . . . 0.0 110.582 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -87.02 -57.94 2.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' B' ' 25' ' ' ALA . 81.7 m-85 -132.07 127.36 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.722 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 m -77.09 107.64 9.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 111.394 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.64 116.49 29.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.561 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.78 122.2 46.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.598 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.84 130.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.959 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -124.13 114.32 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.298 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -89.87 117.78 28.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HB3' HG12 ' A' ' 45' ' ' ILE . 90.4 mt -76.5 -7.01 54.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.49 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.56 -8.69 73.44 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.737 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.6 m -84.03 -33.21 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.32 135.68 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.276 -173.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 97.3 mttt -80.74 -21.15 41.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.113 -177.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.54 -34.17 69.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.105 0.479 . . . . 0.0 110.246 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -73.42 -19.28 61.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -67.43 -41.3 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 172.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -64.71 -35.04 79.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.237 176.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.72 -51.07 70.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.153 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -57.11 -44.04 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.95 -46.66 84.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.007 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 63.7 mttp -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.22 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.24 -41.11 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.306 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.59 21.4 1.03 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.694 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 91.3 t -86.99 106.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -105.35 -8.82 17.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.892 -176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m -148.02 158.24 43.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 57' ' ' PRO . 26.2 m -114.14 137.52 22.5 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.472 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.907 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 83.2 Cg_endo -91.89 168.93 24.99 Favored 'Cis proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.411 -1.495 . . . . 0.0 113.061 -0.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -146.26 145.3 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 HD21 ' HB1' ' A' ' 5' ' ' ALA . 6.2 tt -123.46 121.41 35.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.206 0.527 . . . . 0.0 109.633 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 40.5 t -90.22 106.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.281 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -90.81 93.14 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 51.38 46.63 26.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.53 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 60' ' ' VAL . . . 111.78 -37.7 3.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.826 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.66 111.65 20.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.856 0.36 . . . . 0.0 110.766 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -90.05 108.97 20.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.397 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.39 123.29 48.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.225 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 66.1 m80 -74.44 118.75 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 22' ' ' VAL . 54.5 mt -97.19 104.19 15.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.81 0.338 . . . . 0.0 110.766 -176.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 t30 69.94 93.23 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.303 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -53.55 114.23 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.73 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.27 -79.07 1.17 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.973 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.32 154.53 47.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.548 0.214 . . . . 0.0 110.99 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.88 146.49 35.23 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -69.45 -26.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.965 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.647 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 47.7 m-20 -78.1 -10.24 59.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.371 -178.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.58 -29.02 59.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.472 0.653 . . . . 0.0 109.486 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.2 -4.19 56.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.95 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.647 ' HG2' ' HA ' ' A' ' 75' ' ' ASP . 35.2 mmtp -71.96 -16.13 62.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.021 -178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.4 35.89 3.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.618 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.254 179.489 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.679 ' HA ' ' O ' ' B' ' 30' ' ' LYS . . . -95.97 94.39 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.826 0.346 . . . . 0.0 110.169 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -107.39 167.87 9.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.245 0.545 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.35 121.72 26.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 33' ' ' VAL . . . -120.26 108.3 14.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -99.68 134.9 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.553 ' HD1' HG23 ' B' ' 35' ' ' ILE . 55.3 t80 -118.62 105.27 11.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.217 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.688 ' O ' ' HA ' ' B' ' 57' ' ' PRO . 72.3 m-85 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.292 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.543 ' HB2' ' CB ' ' B' ' 15' ' ' CYS . 8.5 p80 -149.1 157.7 43.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.843 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.02 -53.23 2.64 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.34 -111.18 3.22 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.396 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.619 ' HB2' ' HD3' ' B' ' 13' ' ' PRO . 89.6 m -148.52 -63.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' B' ' 12' ' ' CYS . 35.8 Cg_exo -56.97 -52.53 6.53 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.831 1.687 . . . . 0.0 113.263 -168.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' B' ' 71' ' ' GLY . 65.4 t -64.61 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.953 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' B' ' 9' ' ' HIS . 5.3 p -93.37 -41.48 9.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' B' ' 12' ' ' CYS . 75.9 t -60.66 -37.98 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 117.976 0.353 . . . . 0.0 111.673 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.9 m -61.25 -45.29 95.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -36.96 78.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -54.95 -57.07 13.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.533 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.75 -21.27 62.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.828 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 -57.67 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.134 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 59' ' ' LEU . 42.6 t -71.21 -39.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.759 -173.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.6 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.773 0.32 . . . . 0.0 111.475 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -104.98 -9.79 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.557 . . . . 0.0 110.261 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' CE2' ' A' ' 31' ' ' TYR . . . -87.4 -32.49 19.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.203 175.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.97 130.78 55.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.066 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.64 128.75 94.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.628 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.4 -21.53 71.35 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.63 2.22 . . . . 0.0 111.819 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -77.93 -35.44 50.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.134 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' B' ' 2' ' ' ALA . 53.1 tttp -72.97 -48.81 33.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.722 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -131.72 130.02 41.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.9 m -75.81 98.99 4.3 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.92 0.39 . . . . 0.0 110.392 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 44.4 t -82.37 108.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.061 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -104.79 106.62 17.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.906 177.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.553 HG23 ' HD1' ' B' ' 7' ' ' PHE . 37.2 mt -91.57 130.41 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.38 120.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -90.83 116.74 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.788 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.511 ' CD1' HG11 ' B' ' 56' ' ' VAL . 80.8 mt -80.51 -23.48 40.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.68 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.49 70.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.916 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 26.7 m -77.29 -43.91 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.316 . . . . 0.0 110.66 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' B' ' 43' ' ' ALA . 28.7 t70 -134.63 115.04 13.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -77.69 -9.98 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.064 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' B' ' 41' ' ' ASP . . . -68.31 -27.03 65.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.311 0.577 . . . . 0.0 109.861 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -72.56 -20.62 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.403 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 50' ' ' LYS . . . -64.81 -34.8 79.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.27 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.55 -50.16 73.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.53 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.28 90.53 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.5 -46.02 91.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 46' ' ' ALA . 96.0 mttt -64.82 -38.0 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.63 -32.57 74.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.303 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.02 9.26 10.87 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.681 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.62 104.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.403 ' O ' HG12 ' B' ' 74' ' ' ILE . 8.4 mtmp? -87.78 -43.93 11.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.494 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.638 ' O ' ' HD2' ' B' ' 67' ' ' HIS . 22.1 m -103.48 111.31 23.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.759 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 0.0 OUTLIER -76.2 -154.04 0.0 OUTLIER Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.033 -177.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.759 ' CD ' ' HB ' ' B' ' 56' ' ' VAL . 1.0 OUTLIER 11.38 91.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.664 2.243 . . . . 0.0 113.882 -136.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' B' ' 68' ' ' ILE . . . -146.75 162.89 37.61 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.785 -172.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 68' ' ' ILE . 61.6 tp -114.73 116.94 29.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.394 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' B' ' 65' ' ' ALA . 40.1 t -95.38 99.77 9.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.954 0.407 . . . . 0.0 110.46 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 47.4 mm -90.47 92.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.88 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.41 75.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.071 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.08 -31.05 3.48 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.476 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.27 111.74 23.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.999 0.4 . . . . 0.0 110.897 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -91.99 107.22 19.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.007 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -94.49 106.15 18.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.947 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.638 ' HD2' ' O ' ' B' ' 55' ' ' SER . 50.6 m80 -63.64 111.39 2.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.574 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' B' ' 59' ' ' LEU . 60.0 mt -80.75 100.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.48 HD22 HG22 ' B' ' 68' ' ' ILE . 19.6 m-80 58.69 -150.71 0.43 Allowed 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -110.25 80.62 1.33 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 165.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -65.09 -66.15 2.59 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.65 -0.785 . . . . 0.0 111.222 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.717 ' HB3' HG23 ' B' ' 56' ' ' VAL . . . -139.47 177.41 7.95 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 172.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.78 141.4 12.38 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.727 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' LYS . 46.1 mm -59.37 -40.55 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.32 -35.07 71.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.774 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -83.27 -35.47 25.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.035 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -72.64 -24.27 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' B' ' 78' ' ' LYS . 3.0 mmpt? -71.96 89.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.004 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.53 35.49 0.16 Allowed Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.826 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--O 1.248 1.023 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -177.618 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.623 0.249 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.64 91.31 4.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -93.22 162.75 13.89 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' CB ' ' HB ' ' A' ' 32' ' ' THR . 64.8 pttt -90.59 140.68 29.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.616 0.722 . . . . 0.0 111.986 -173.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.46 123.61 45.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.93 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.746 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 50.6 mm -95.35 110.99 25.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.205 -173.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HD2' HG23 ' A' ' 35' ' ' ILE . 55.2 t80 -87.42 93.29 9.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.645 ' CE1' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -97.17 124.02 41.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.624 -173.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 12.3 p80 -148.38 177.47 9.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.791 0.329 . . . . 0.0 110.839 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.35 17.47 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.28 5.71 61.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.9 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -63.49 129.75 93.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.81 -25.01 19.85 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 123.551 2.834 . . . . 0.0 113.953 -172.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' HD3' ' A' ' 57' ' ' PRO . 29.3 m -69.13 -14.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.0 p -87.48 -17.26 32.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.635 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.06 -55.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -69.67 -35.57 75.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.34 79.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 32.8 tt0 -68.72 -38.66 80.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.262 177.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -78.56 -8.18 58.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.622 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.06 -66.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.73 0.3 . . . . 0.0 111.642 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.7 -48.31 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.916 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.68 -8.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.794 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -88.2 -33.36 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.483 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HA ' ' CE2' ' B' ' 31' ' ' TYR . . . -64.6 -51.44 62.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.519 178.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.9 mt -88.17 109.65 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.14 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB2' ' A' ' 29' ' ' SER . 4.6 p-10 -94.39 155.87 39.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 20.1 Cg_exo -67.23 -4.84 12.43 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.271 2.648 . . . . 0.0 114.008 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.425 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 39.2 m -82.21 -38.08 25.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.451 . . . . 0.0 110.12 176.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -79.56 -49.0 12.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 72.4 m-85 -133.63 151.93 51.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' ' CB ' ' A' ' 4' ' ' LYS . 2.5 m -75.48 89.5 2.69 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.925 0.393 . . . . 0.0 110.01 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.73 102.69 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.014 0.435 . . . . 0.0 110.701 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -107.79 117.62 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.416 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.531 HG23 ' HD2' ' A' ' 7' ' ' PHE . 63.7 mt -92.05 123.51 44.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.915 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.08 139.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.504 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -113.57 123.71 50.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.645 ' HG ' ' CE1' ' A' ' 8' ' ' TYR . 18.5 mt -82.38 -27.87 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 4.28 21.45 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.738 -172.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 m -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.656 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -153.29 106.52 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.621 ' HA ' HG12 ' A' ' 45' ' ' ILE . 53.8 mtmt -89.25 2.89 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.296 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 -29.06 65.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.3 mtm105 -85.15 6.44 25.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.074 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.621 HG12 ' HA ' ' A' ' 42' ' ' LYS . 34.9 mm -64.45 -42.88 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 173.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . . . -67.14 -30.42 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.418 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -69.96 -35.51 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.662 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 53' ' ' VAL . . . -65.5 -35.52 81.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.419 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' OE1' ' HA ' ' A' ' 46' ' ' ALA . 40.6 mt-10 -59.27 -38.78 80.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.215 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -64.8 -45.5 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.6 -18.76 62.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.02 25.68 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.898 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 48' ' ' ALA . 61.9 t -80.16 106.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.069 0.462 . . . . 0.0 110.035 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -96.4 -22.69 17.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.465 ' O ' ' HD2' ' A' ' 67' ' ' HIS . 51.1 m -152.14 160.24 43.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.291 178.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 24.2 m -120.12 144.41 37.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.351 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HG2' ' HB ' ' A' ' 68' ' ' ILE . 90.7 Cg_endo -80.95 155.99 83.96 Favored 'Cis proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.284 -1.548 . . . . 0.0 113.047 2.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 67' ' ' HIS . . . -139.44 131.86 28.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.978 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.0 tp -96.78 102.91 14.78 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 36.3 t -85.25 96.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.337 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.5 mt -93.21 102.21 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.312 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 65.62 2.82 2.19 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.561 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 139.64 -30.69 2.38 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.459 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 120.48 26.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.689 0.28 . . . . 0.0 110.507 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . . . -91.03 110.64 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.938 0.399 . . . . 0.0 110.977 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' B' ' 68' ' ' ILE . 98.9 m-85 -99.67 106.74 18.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.019 176.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.465 ' HD2' ' O ' ' A' ' 55' ' ' SER . 51.1 m80 -69.99 137.52 51.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.597 ' HB ' ' HG2' ' A' ' 57' ' ' PRO . 54.6 mt -108.41 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.678 HD21 ' HD1' ' B' ' 66' ' ' PHE . 89.1 m-20 67.17 -175.59 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.803 -178.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.91 105.71 15.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.14 -79.36 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.933 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.19 119.85 14.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.62 149.67 45.41 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.642 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.0 -27.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 110.919 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.19 -37.79 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 111.518 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -78.03 -15.57 58.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.84 -28.88 12.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.311 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -82.11 -42.09 19.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.45 -179.1 42.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.197 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.9 179.009 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 31' ' ' TYR . . . -90.19 140.07 30.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.973 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' B' ' 62' ' ' ASP . 40.9 m -76.15 138.06 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -87.06 108.96 19.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 111.445 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.45 105.03 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.701 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 45.8 mm -95.3 123.29 47.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.513 ' HD2' HG23 ' B' ' 35' ' ' ILE . 81.8 t80 -104.09 104.42 14.36 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.47 127.28 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.242 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . 0.874 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 12.6 p80 -141.5 -179.97 6.46 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.707 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.33 19.74 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.523 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -15.72 52.42 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.181 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.44 149.48 28.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 C-N-CA 122.574 0.35 . . . . 0.0 111.285 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.54 -25.65 50.59 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.887 2.391 . . . . 0.0 112.884 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.98 -33.62 53.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.031 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' B' ' 9' ' ' HIS . 7.5 m -63.58 -42.71 98.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.906 -176.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.65 -48.59 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -60.77 -40.29 91.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.983 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.92 72.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.48 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 30.3 tt0 -66.68 -49.4 66.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -67.26 -28.69 68.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.72 -71.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.63 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.7 t -66.91 -52.07 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.678 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' B' ' 19' ' ' GLU . . . -72.74 -5.03 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.83 -175.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -108.67 -12.68 14.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.45 0.643 . . . . 0.0 110.031 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.68 -27.5 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.513 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.36 137.39 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.633 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 30' ' ' LYS . 10.5 t70 -80.07 120.2 78.96 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -24.31 79.16 Favored 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.185 2.59 . . . . 0.0 113.294 -177.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.8 m -94.07 -15.35 24.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.21 0.528 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' B' ' 27' ' ' ASP . 84.2 tttt -86.53 -46.06 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.733 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 25' ' ' ALA . 72.1 m-85 -135.17 137.09 42.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.201 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -78.38 105.35 9.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.76 137.18 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.649 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HB3' HD13 ' B' ' 6' ' ' ILE . 36.2 tt0 -138.87 121.99 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' B' ' 7' ' ' PHE . 67.1 mt -95.36 125.41 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.486 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.69 115.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.931 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.499 ' HD2' HG23 ' B' ' 40' ' ' THR . 37.6 t60 -89.23 112.45 23.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.818 178.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.522 HD12 ' CG1' ' B' ' 56' ' ' VAL . 58.9 mt -85.55 2.25 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.59 73.32 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.065 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.499 HG23 ' HD2' ' B' ' 37' ' ' HIS . 1.7 p -83.46 -75.13 0.34 Allowed 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.069 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' B' ' 44' ' ' ARG . 2.2 m-20 -85.16 105.17 15.67 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.718 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.436 ' HG3' HD12 ' B' ' 45' ' ' ILE . 86.0 tttt -65.78 -24.09 66.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 0.0 109.98 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -26.66 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.38 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' B' ' 41' ' ' ASP . 82.1 mmt-85 -71.75 -26.1 62.32 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' B' ' 42' ' ' LYS . 73.9 mt -58.64 -42.94 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.08 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.821 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -68.12 -36.97 80.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.99 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.265 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.11 -39.71 94.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.549 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.85 -35.31 80.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.717 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.74 66.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.324 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.79 18.03 5.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.271 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.07 106.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' B' ' 67' ' ' HIS . 46.9 mttm -88.12 -22.92 23.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.363 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.9 m -151.71 150.58 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.551 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HB ' ' CD ' ' B' ' 57' ' ' PRO . 5.6 m -84.88 -163.34 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.532 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.692 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.874 ' HD3' ' HA ' ' B' ' 9' ' ' HIS . 1.0 OUTLIER 11.18 91.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.625 2.883 . . . . 0.0 114.395 -135.233 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' B' ' 67' ' ' HIS . . . -150.93 163.91 37.58 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.113 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.721 ' HB2' HD11 ' B' ' 68' ' ' ILE . 55.5 tp -118.59 119.53 34.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.077 0.465 . . . . 0.0 110.517 -178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.701 ' HB ' ' HB ' ' B' ' 6' ' ' ILE . 59.9 t -102.75 109.5 26.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.406 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.54 96.16 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' B' ' 3' ' ' SER . 12.8 t70 59.11 24.6 12.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.488 173.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.1 -31.99 3.54 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.858 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 111.76 20.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.38 . . . . 0.0 110.925 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' VAL . . . -89.27 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.752 -175.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.678 ' HD1' HD21 ' A' ' 69' ' ' ASN . 89.8 m-85 -113.24 128.49 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.92 176.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' B' ' 54' ' ' LYS . 35.7 m80 -78.15 135.7 37.7 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.072 -175.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.721 HD11 ' HB2' ' B' ' 59' ' ' LEU . 63.1 mt -103.65 101.86 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 61.05 -159.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -172.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -106.87 88.85 2.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' B' ' 57' ' ' PRO . . . -68.39 -90.18 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 177.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' CG2' ' B' ' 56' ' ' VAL . . . -139.91 142.79 36.44 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.884 172.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.93 137.15 25.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.1 -1.048 . . . . 0.0 111.309 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 tt -68.55 -24.28 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.516 0.674 . . . . 0.0 109.903 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.55 -27.96 51.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.162 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.52 -32.42 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.36 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.42 -35.96 72.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.269 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -82.78 84.79 7.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.518 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.81 135.11 3.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.493 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.392 176.893 . . . . . . . . 0 0 . 1 stop_ save_